kettapeptin
chemical compound
Press Enter · cited answer in seconds
0 sources
kettapeptin
Summary
kettapeptin is a group of stereoisomers[1].
Key Facts
- kettapeptin's instance of is recorded as group of stereoisomers[2].
- kettapeptin's chemical structure is recorded as Kettapeptin.svg[3].
- kettapeptin's canonical SMILES is recorded as CC=C(C)C(=O)C(C)C=C(C)C1OC(O)(C(O)(CC)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(COC)C(=O)N(C)C(C)C(=O)N3NCCCC3C(=O)NC(C(C)O)C(=O)OC2C(C)C)CCC1C[4].
- kettapeptin's InChI is recorded as InChI=1S/C48H78N8O15/c1-13-26(5)37(58)28(7)23-29(8)39-27(6)19-20-48(67,71-39)47(66,14-2)46(65)52-36-38(25(3)4)70-45(64)35(31(10)57)51-40(59)32-17-15-21-49-54(32)41(60)30(9)53(11)42(61)34(24-69-12)56(68)43(62)33-18-16-22-50-55(33)44(36)63/h13,23,25,27-28,30-36,38-39,49-50,57,66-68H,14-22,24H2,1-12H3,(H,51,59)(H,52,65)/b26-13+,29-23+/t27-,28?,30+,31-,32+,33+,34-,35+,36-,38-,39?,47+,48+/m0/s1[5].
- kettapeptin's InChIKey is recorded as GXVLICYFXVVWOH-RKMZHTRFSA-N[6].
- kettapeptin's chemical formula is recorded as C₄₈H₇₈N₈O₁₅[7].
- kettapeptin's subclass of is recorded as chemical compound[8].
- kettapeptin's Freebase ID is recorded as /m/0x2b7t_[9].
- kettapeptin's ChemSpider ID is recorded as 9796916[10].
- kettapeptin's PubChem CID is recorded as 11622168[11].
- kettapeptin's isomeric SMILES is recorded as O=C1OC@@HC@@HNC(=O)C@@([C@]4(O)OC(/C(=C/C(C(=O)/C(=C/C)C)C)C)C@HC)CCC@@HC@@HNC(=O)C@@([C@]4(O)OC(/C(=C/C(C(=O)">[12].
- kettapeptin's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1006.5586637960002'}[13].
- kettapeptin's SureChEMBL ID is recorded as 29383998[14].
- kettapeptin's Microsoft Academic ID is recorded as 2780207241[15].
- kettapeptin's UniChem compound ID is recorded as 33973745[16].