AIDS-134001

Molecular Formula: C₄₈H₈₁N₁₃O₁₄

InChI: InChI=1/C48H81N13O14/c1-24(2)20-33(58-45(71)34(57-40(66)26(5)51)21-29-14-16-30(63)17-15-29)42(68)53-23-37(65)55-31(12-8-10-18-49)43(69)56-32(13-9-11-19-50)44(70)60-38(25(3)4)46(72)54-27(6)41(67)61-39(28(7)62)47(73)59-35(48(74)75)22-36(52)64/h14-17,24-28,31-35,38-39,62-63H,8-13,18-23,49-51H2,1-7H3,(H2,52,64)(H,53,68)(H,54,72)(H,55,65)(H,56,69)(H,57,66)(H,58,71)(H,59,73)(H,60,70)(H,61,67)(H,74,75)/f/h53-61,74H,52H2

InChIKey: InChIKey=QUDSAJBRPUGTDE-GGTYVKPZCS
SMILES: CC(C)CC(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(C)N

Names:
    AIDS-134001
    AIDS134001
    NSC631165
    2-[[2-[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-3-hydroxy-butanoyl]amino]-3-carbamoyl-propanoic acid
    29-Amino-14,17-bis(4-aminobutyl)-2-(2-amino-2-oxoethyl)-26-(4-hydroxybenzyl)-5-(1-hydroxyethyl)-23-isobutyl-11-isopropyl-8-methyl-4,7,10,13,16,19,22,25,28-nonaoxo-3,6,9,12,15,18,21,24,27-nonaazatriaco\tntan-1-oic acid

Registries:
    PubChem CID 364630
    PubChem ID 229950