AIDS-134012

Molecular Formula: C45H80N12O17


InChI: InChI=1/C45H80N12O17/c1-7-23(4)35(56-38(66)26(48)14-15-33(62)63)42(70)52-27(12-8-10-16-46)39(67)49-21-32(61)55-36(24(5)58)44(72)57-37(25(6)59)43(71)54-30(19-34(64)65)41(69)53-29(18-22(2)3)40(68)50-20-31(60)51-28(45(73)74)13-9-11-17-47/h22-30,35-37,58-59H,7-21,46-48H2,1-6H3,(H,49,67)(H,50,68)(H,51,60)(H,52,70)(H,53,69)(H,54,71)(H,55,61)(H,56,66)(H,57,72)(H,62,63)(H,64,65)(H,73,74)/f/h49-57,62,64,73H

InChIKey: InChIKey=XBALPFXPINBKJD-DRAHTYAECE
SMILES: CCC(C)C(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)O)N

Names:
    AIDS-134012
    AIDS134012
    NSC631177
    29-Amino-2,23-bis(4-aminobutyl)-26-sec-butyl-11-(carboxymethyl)-14,17-bis(1-hydroxyethyl)-8-isobutyl-4,7,10,13,16,19,22,25,28-nonaoxo-3,6,9,12,15,18,21,24,27-nonaazadotriacontane-1,32-dioic acid
    6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-4-carboxy-butanoyl)amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoic acid

Registries:
    PubChem CID 364642
    PubChem ID 229961