2055896-98-3 (MC-Val-Cit-PAB-duocarmycin,MC-Val-Cit-PAB-duocarmycin chloride)

MC-Val-Cit-PAB-duocarmycin;MC-Val-Cit-PAB-duocarmycin chloride;HY-128904;CS-0102054;2055896-98-3;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl-[2-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]oxy]ethyl]-dimethylazanium;chloride;MS-31904;G18474;MC-Val-Cit-PAB-duocarmycin (chloride);

XPOJSPASJJBTCF-MUYWJSLASA-O

1S/C54H64ClN9O9/c1-33(2)50(61-46(66)14-6-5-9-24-62-47(67)21-22-48(62)68)52(70)60-42(13-10-23-57-54(56)72)51(69)58-37-17-15-34(16-18-37)32-64(3,4)25-26-73-38-19-20-41-35(27-38)28-43(59-41)53(71)63-31-36(30-55)49-40-12-8-7-11-39(40)45(65)29-44(49)63/h7-8,11-12,15-22,27-29,33,36,42,50H,5-6,9-10,13-14,23-26,30-32H2,1-4H3,(H7-,56,57,58,59,60,61,65,66,69,70,71,72)/p+1/t36-,42+,50+/m1/s1

C([C@@H]1CN(C(C2NC3=CC=C(OCC[N+](C)(C)CC4C=CC(NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN5C(C=CC5=O)=O)=CC=4)C=C3C=2)=O)C2C=C(O)C3=CC=CC=C3C1=2)Cl