化学式

CAS号

IUPAC Name

(4S)-4-[2-[(2S,5R)-5-[[(2R)-2-[[(2S)-4-氨基-4-氧代-2-[[(2S)-2-[2-[[(2S)-3-oxopentan-2-基]氨基]乙酰基]吡咯烷-1-基]氨基]butanoyl]氨基]-3-sulfanylpropanoyl]氨基]-1-(4-羟基苯基)-3,4-二氧代-6-sulfanylhexan-2-基]肼基]-8-[[(3R)-3-[[(2S,3R)-2-(chloroamino)-3-hydroxybutanoyl]氨基]-2-氧代-4-sulfany (4S)-4-[2-[(2S,5R)-5-[[(2R)-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-2-[2-[[(2S)-3-oxopentan-2-yl]amino]acetyl]pyrrolidin-1-yl]amino]butanoyl]amino]-3-sulfanylpropanoyl]amino]-1-(4-hydroxyphenyl)-3,4-dioxo-6-sulfanylhexan-2-yl]hydrazinyl]-8-[[(3R)-3-[[(2S,3R)-2-(chloroamino)-3-hydroxybutanoyl]amino]-2-oxo-4-sulfanylbutyl]disulfanyl]-7-[4-(disulfanylmethyl)-5-oxoimidazolidin-1-yl]-5,6-dioxooctanoic acid

InChI

InChI=1S/C50H75ClN12O16S7/c1-4-37(66)24(2)53-16-38(67)35-6-5-13-63(35)61-30(15-40(52)69)47(76)57-33(19-82)48(77)56-32(18-81)45(74)44(73)29(14-26-7-9-27(65)10-8-26)60-59-28(11-12-41(70)71)43(72)46(75)36(62-23-54-34(20-84-83)50(62)79)21-85-86-22-39(68)31(17-80)55-49(78)42(58-51)25(3)64/h7-10,24-25,28-36,42,53-54,58-61,64-65,80-83H,4-6,11-23H2,1-3H3,(H2,52,69)(H,55,78)(H,56,77)(H,57,76)(H,70,71)/t24-,25+,28-,29-,30-,31-,32-,33-,34?,35-,36?,42-/m0/s1

InChI Key

YWGATUSKEKNXOT-JDXGJTDQSA-N

Canonical SMILES

CCC(=O)C(C)NCC(=O)C1CCCN1NC(CC(=O)N)C(=O)NC(CS)C(=O)NC(CS)C(=O)C(=O)C(CC2=CC=C(C=C2)O)NNC(CCC(=O)O)C(=O)C(=O)C(CSSCC(=O)C(CS)NC(=O)C(C(C)O)NCl)N3CNC(C3=O)CSS

别名

• SCHEMBL19139753