化学式

CAS号

IUPAC Name

(2,5-二氧代吡咯烷-1-基)N-[6-[(4R,6S,8S,17S,35S)-35-(2-氨基-2-氧代乙基)-17-[(2S)-丁-2-基]-6-甲酰基-4-羟基-9,12,15,18,21,34,37-heptaoxo-8-[(1R)-1-[(4R)-2-氧代-1,3-二氧杂烷-4-基]乙基]-33-氧杂-25-硫杂-2,7,10,13,16,19,22,27,36-nonazahexacyclo[21.10.4.211,26.128,32.02,6.029,39]tetraconta-26(39 (2,5-dioxopyrrolidin-1-yl) N-[6-[(4R,6S,8S,17S,35S)-35-(2-amino-2-oxoethyl)-17-[(2S)-butan-2-yl]-6-formyl-4-hydroxy-9,12,15,18,21,34,37-heptaoxo-8-[(1R)-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]ethyl]-33-oxa-25-thia-2,7,10,13,16,19,22,27,36-nonazahexacyclo[21.10.4.211,26.128,32.02,6.029,39]tetraconta-26(39),28,30,32(38)-tetraen-1-yl]hexyl]carbamate

InChI

InChI=1S/C52H68N12O18S/c1-4-25(2)41-46(75)56-19-37(68)57-34-23-83-48-30-16-33(44(73)55-20-38(69)61-41)59-47(76)42(26(3)35-22-79-50(78)80-35)62-51(24-65)18-27(66)21-63(51)52(43(72)32(17-36(53)67)58-45(34)74,81-28-9-10-29(30)31(15-28)60-48)13-7-5-6-8-14-54-49(77)82-64-39(70)11-12-40(64)71/h9-10,15,24-27,32-35,41-42,60,62,66H,4-8,11-14,16-23H2,1-3H3,(H2,53,67)(H,54,77)(H,55,73)(H,56,75)(H,57,68)(H,58,74)(H,59,76)(H,61,69)/t25-,26-,27+,32-,33?,34?,35-,41-,42-,51-,52?/m0/s1

InChI Key

HLXYRIRZELMJRO-JQPNSVPNSA-N

Canonical SMILES

CCC(C)C1C(=O)NCC(=O)NC2CSC3=C4CC(C(=O)NCC(=O)N1)NC(=O)C(NC5(CC(CN5C(C(=O)C(NC2=O)CC(=O)N)(OC6=CC(=C4C=C6)N3)CCCCCCNC(=O)ON7C(=O)CCC7=O)O)C=O)C(C)C8COC(=O)O8

别名

• SCHEMBL20193805