AIDS-134015

Molecular Formula: C₅₂H₈₆N₁₂O₁₇

InChI: InChI=1/C52H86N12O17/c1-27(2)23-35(45(73)61-37(25-65)47(75)57-34(52(80)81)12-7-9-21-54)58-46(74)36(24-30-14-16-31(68)17-15-30)59-49(77)39-13-10-22-64(39)51(79)42(29(5)67)63-48(76)38(26-66)60-44(72)33(11-6-8-20-53)56-50(78)41(28(3)4)62-43(71)32(55)18-19-40(69)70/h14-17,27-29,32-39,41-42,65-68H,6-13,18-26,53-55H2,1-5H3,(H,56,78)(H,57,75)(H,58,74)(H,59,77)(H,60,72)(H,61,73)(H,62,71)(H,63,76)(H,69,70)(H,80,81)/f/h56-63,69,80H

InChIKey: InChIKey=CXIBPJMJMSMGQN-FJGUNWLBCC
SMILES: CC(C)CC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N

Names:
    AIDS-134015
    AIDS134015
    NSC631180
    15-Amino-9-(4-aminobutyl)-3-((2-(16-amino-12-carboxy-3-(4-hydroxybenzyl)-9-(hydroxymethyl)-6-isobutyl-4,7,10-trioxo-2,5,8,11-tetraazahexadec-1-anoyl)-1-pyrrolidinyl)carbonyl)-2-hydroxy-6-(hydroxymethy\tl)-12-isopropyl-5,8,11,14-tetraoxo-4,7,10,13-tetraazaoctadecan-18-oic acid
    6-amino-2-[[2-[[2-[[2-[[1-[2-[[2-[[6-amino-2-[[2-[(2-amino-4-carboxy-butanoyl)amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid

Registries:
    PubChem CID 364645
    PubChem ID 229964