Aeruginopeptin 228-A
bioactive natural product
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Aeruginopeptin 228-A
Summary
Aeruginopeptin 228-An is a group of stereoisomers[1].
Key Facts
- Aeruginopeptin 228-A's instance of is recorded as group of stereoisomers[2].
- Aeruginopeptin 228-A's canonical SMILES is recorded as CCC(C)C1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)O)N2C(=O)C(CCC2O)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(O)Cc2ccc(O)cc2)C(C)OC1=O[3].
- Aeruginopeptin 228-A's InChI is recorded as InChI=1S/C52H68N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-19,27-29,35-39,41-44,61-64,66H,6,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)/t27-,28+,29+,35-,36?,37-,38-,39?,41?,42-,43-,44-/m0/s1[4].
- Aeruginopeptin 228-A's InChIKey is recorded as UXBXSFBQJFREKB-CRGLZCSQSA-N[5].
- Aeruginopeptin 228-A's chemical formula is recorded as C₅₂H₆₈N₈O₁₅[6].
- Aeruginopeptin 228-A's subclass of is recorded as biogenic cyclopeptide[7].
- Aeruginopeptin 228-A's PubChem CID is recorded as 139584653[8].
- Aeruginopeptin 228-A's ChEBI ID is recorded as 202752[9].
- Aeruginopeptin 228-A's isomeric SMILES is recorded as CCC@H[C@@H]1NC(=O)C@HN(C)C(=O)C@HN2C(=O)C(CCC2O)NC(=O)C@HNC(=O)C@@HC@@HOC1=OC@H[C@@H]1NC(=O)C@HN(C)C(=O)C@HN2C(=O)C(CCC2O)NC(=O)C@HNC(=O)[C@@H](NC(=O)C@HNC(=O)C(O)Cc2">[10].
- Aeruginopeptin 228-A's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1044.4804134760002'}[11].
- Aeruginopeptin 228-A's Natural Product Atlas ID is recorded as NPA005594[12].
- Aeruginopeptin 228-A's UniChem compound ID is recorded as 170908101[13].