化学式

CAS号

IUPAC Name

(2,5-二氧代吡咯烷-1-基)N-[6-[(6S,9S,18S,36S)-36-(2-氨基-2-氧代乙基)-18-[(2S)-丁-2-基]-4-羟基-7,10,13,16,19,22,35,38-octaoxo-9-[(1R)-1-[(4R)-2-氧代-1,3-二氧杂烷-4-基]乙基]-34-氧杂-26-硫杂-2,8,11,14,17,20,23,28,37-nonazahexacyclo[22.10.4.212,27.129,33.02,6.030,40]hentetraconta-27(40),29 (2,5-dioxopyrrolidin-1-yl) N-[6-[(6S,9S,18S,36S)-36-(2-amino-2-oxoethyl)-18-[(2S)-butan-2-yl]-4-hydroxy-7,10,13,16,19,22,35,38-octaoxo-9-[(1R)-1-[(4R)-2-oxo-1,3-dioxolan-4-yl]ethyl]-34-oxa-26-thia-2,8,11,14,17,20,23,28,37-nonazahexacyclo[22.10.4.212,27.129,33.02,6.030,40]hentetraconta-27(40),29,31,33(39)-tetraen-1-yl]hexyl]carbamate

InChI

InChI=1S/C52H68N12O18S/c1-4-24(2)41-47(75)56-19-37(67)57-33-23-83-49-29-17-32(44(72)55-20-38(68)61-41)59-48(76)42(25(3)35-22-79-51(78)80-35)62-46(74)34-15-26(65)21-63(34)52(43(71)31(18-36(53)66)58-45(33)73,81-27-9-10-28(29)30(16-27)60-49)13-7-5-6-8-14-54-50(77)82-64-39(69)11-12-40(64)70/h9-10,16,24-26,31-35,41-42,60,65H,4-8,11-15,17-23H2,1-3H3,(H2,53,66)(H,54,77)(H,55,72)(H,56,75)(H,57,67)(H,58,73)(H,59,76)(H,61,68)(H,62,74)/t24-,25-,26?,31-,32?,33?,34-,35-,41-,42-,52?/m0/s1

InChI Key

SSFCKWQRDTVSDT-BOMBNSBASA-N

Canonical SMILES

CCC(C)C1C(=O)NCC(=O)NC2CSC3=C4CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C5CC(CN5C(C(=O)C(NC2=O)CC(=O)N)(OC6=CC(=C4C=C6)N3)CCCCCCNC(=O)ON7C(=O)CCC7=O)O)C(C)C8COC(=O)O8

别名

• SCHEMBL17413654