化学式

CAS号

IUPAC Name

(4S)-5-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(3S)-1-氨基-1,4-dioxopentan-3-基]氨基]-1-氧代-3-巯基-2-基]氨基]-1-氧代-3-巯基-2-基]氨基]-3-(4-羟基苯基)-1-oxopropan-2-基]氨基]-4-[[3-[[(3R)-3-[[(2S,3R)-2-(chloroamino)-3-hydroxybutanoyl]氨基]-2-氧代-4-sulfanylbutyl]disulfanyl]-2-[4-(disulfanylmethyl (4S)-5-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(3S)-1-amino-1,4-dioxopentan-3-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[3-[[(3R)-3-[[(2S,3R)-2-(chloroamino)-3-hydroxybutanoyl]amino]-2-oxo-4-sulfanylbutyl]disulfanyl]-2-[4-(disulfanylmethyl)-5-oxoimidazolidin-1-yl]propanoyl]amino]-5-oxopentanoic acid

InChI

InChI=1S/C40H59ClN10O14S7/c1-18(52)23(10-31(42)56)45-36(61)26(12-67)49-37(62)27(13-68)48-35(60)24(9-20-3-5-21(54)6-4-20)46-34(59)22(7-8-32(57)58)44-38(63)29(51-17-43-28(14-70-69)40(51)65)15-71-72-16-30(55)25(11-66)47-39(64)33(50-41)19(2)53/h3-6,19,22-29,33,43,50,53-54,66-69H,7-17H2,1-2H3,(H2,42,56)(H,44,63)(H,45,61)(H,46,59)(H,47,64)(H,48,60)(H,49,62)(H,57,58)/t19-,22+,23+,24+,25+,26+,27+,28?,29?,33+/m1/s1

InChI Key

CLRZYNGBYLXTOU-BALZINPGSA-N

Canonical SMILES

CC(C(C(=O)NC(CS)C(=O)CSSCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)C)N2CNC(C2=O)CSS)NCl)O

别名

• SCHEMBL19139553