化学式

CAS号

IUPAC Name

3-[2-(二硫烷-3-基)乙酰基]氧丙基(4R)-5-[(8aR,10aS)-7-[2-[4-[9-[2-(chloroamino)乙基]-7-[1-[2-[[(5R,8R,14S)-17-[(2R)-5-[3-[2-(二硫烷-3-基)乙酰基]oxypropoxy]-5-oxopentan-2-基]-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-环戊并[a]菲-3-基]氧基]-2-氧代乙基]三唑-4-基]咔唑-2-基]三唑-1 3-[2-(dithiolan-3-yl)acetyl]oxypropyl (4R)-5-[(8aR,10aS)-7-[2-[4-[9-[2-(chloroamino)ethyl]-7-[1-[2-[[(5R,8R,14S)-17-[(2R)-5-[3-[2-(dithiolan-3-yl)acetyl]oxypropoxy]-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]triazol-4-yl]carbazol-2-yl]triazol-1-yl]acetyl]oxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]-4-methylhexanoate

InChI

InChI=1S/C85H119ClN8O12S4/c1-53(10-22-76(95)101-36-8-38-103-78(97)46-63-28-40-107-109-63)55(3)82(4)30-26-69-58(48-82)12-15-59-44-61(24-31-83(59,69)5)105-80(99)51-92-49-72(88-90-92)56-13-17-65-66-18-14-57(43-75(66)94(35-34-87-86)74(65)42-56)73-50-93(91-89-73)52-81(100)106-62-25-32-84(6)60(45-62)16-19-67-70-21-20-68(85(70,7)33-27-71(67)84)54(2)11-23-77(96)102-37-9-39-104-79(98)47-64-29-41-108-110-64/h13-14,17-18,42-43,49-50,53-55,58-64,67-71,87H,8-12,15-16,19-41,44-48,51-52H2,1-7H3/t53-,54-,55?,58+,59-,60-,61?,62?,63?,64?,67+,68?,69?,70+,71?,82?,83?,84?,85?/m1/s1

InChI Key

SWTORNBJUKCVEL-MBPRTUAHSA-N

Canonical SMILES

CC(CCC(=O)OCCCOC(=O)CC1CCSS1)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)OC(=O)CN6C=C(N=N6)C7=CC8=C(C=C7)C9=C(N8CCNCl)C=C(C=C9)C1=CN(N=N1)CC(=O)OC1CCC2(C(C1)CCC1C2CCC(C1)(C)C(C)C(C)CCC(=O)OCCCOC(=O)CC1CCSS1)C)C)C

别名

• SCHEMBL22894470