Home › Entities › group_of_stereoisomers › [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate

[(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate

group of stereoisomers with the chemical formula C₃₄H₄₆ClN₃O₁₀
ChemicalSubstance group_of_stereoisomers Q104391644
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[(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate

Summary

[(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate is a group of stereoisomers[1].

Key Facts

  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's instance of is recorded as group of stereoisomers[2].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's canonical SMILES is recorded as COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(C)=O)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2[3].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's InChI is recorded as InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10+,18-11+/t19-,20+,25+,26-,27?,30+,33+,34+/m1/s1[4].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's InChIKey is recorded as WKPWGQKGSOKKOO-QVMUNQMUSA-N[5].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's chemical formula is recorded as C₃₄H₄₆ClN₃O₁₀[6].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's subclass of is recorded as maytansinoid[7].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's PubChem CID is recorded as 101529024[8].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's isomeric SMILES is recorded as COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C@HN(C)C(C)=O)[C@]1(C)O[C@H]1C@H[C@@H]1CC@@(NC(=O)O1)C@H/C=C/C=C(\C)C2[9].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+691.2871723520001'}[10].
  • [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate's UniChem compound ID is recorded as 96563448[11].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . wikidata.org.
  3. [4] ↑ . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . wikidata.org.
  9. [10] ↑ . wikidata.org.
  10. [11] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate. Retrieved May 3, 2026, from https://4ort.xyz/entity/-1s-2r-3s-5s-16e-18e-20r-21s-11-chloro-21-hydroxy-12-20-dimethoxy-2-5-9-16-tetramethyl-8-23-dioxo-4-24-dioxa-9-22-diazatetracyclo-19-3-1-110-14-03-5-hexacosa-10-12-14-26-16-18-pentaen-6-yl-2s-2-acetyl-methyl-amino-propanoate
MLA “[(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-1s-2r-3s-5s-16e-18e-20r-21s-11-chloro-21-hydroxy-12-20-dimethoxy-2-5-9-16-tetramethyl-8-23-dioxo-4-24-dioxa-9-22-diazatetracyclo-19-3-1-110-14-03-5-hexacosa-10-12-14-26-16-18-pentaen-6-yl-2s-2-acetyl-methyl-amino-propanoate.
BibTeX @misc{4ortxyz_-1s-2r-3s-5s-16e-18e-20r-21s-11-chloro-21-hydroxy-12-20-dimethoxy-2-5-9-16-tetramethyl-8-23-dioxo-4-24-dioxa-9-22-diazatetracyclo-19-3-1-110-14-03-5-hexacosa-10-12-14-26-16-18-pentaen-6-yl-2s-2-acetyl-methyl-amino-propanoate_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{[(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate}}, year = {2026}, url = {https://4ort.xyz/entity/-1s-2r-3s-5s-16e-18e-20r-21s-11-chloro-21-hydroxy-12-20-dimethoxy-2-5-9-16-tetramethyl-8-23-dioxo-4-24-dioxa-9-22-diazatetracyclo-19-3-1-110-14-03-5-hexacosa-10-12-14-26-16-18-pentaen-6-yl-2s-2-acetyl-methyl-amino-propanoate}, note = {Accessed: 2026-05-03}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): [(1S,2R,3S,5S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[acetyl(methyl)amino]propanoate — https://4ort.xyz/entity/-1s-2r-3s-5s-16e-18e-20r-21s-11-chloro-21-hydroxy-12-20-dimethoxy-2-5-9-16-tetramethyl-8-23-dioxo-4-24-dioxa-9-22-diazatetracyclo-19-3-1-110-14-03-5-hexacosa-10-12-14-26-16-18-pentaen-6-yl-2s-2-acetyl-methyl-amino-propanoate (retrieved 2026-05-03)

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