AIDS-122356

Molecular Formula: C51H96N14O10S


InChI: InChI=1/C51H96N14O10S/c1-33(2)43-49(73)57-29-17-5-6-18-30-65(31-42(68)59-36(20-10-14-26-53)48(72)64-44(34(3)4)50(74)62-39(32-76)45(56)69)51(75)38(22-12-16-28-55)61-47(71)37(21-11-15-27-54)60-46(70)35(19-9-13-25-52)58-40(66)23-7-8-24-41(67)63-43/h33-39,43-44,76H,5-32,52-55H2,1-4H3,(H2,56,69)(H,57,73)(H,58,66)(H,59,68)(H,60,70)(H,61,71)(H,62,74)(H,63,67)(H,64,72)/t35-,36-,37-,38-,39-,43-,44-/m0/s1/f/h57-64H,56H2

InChIKey: InChIKey=MRWUGILFMQUBHT-KMWKNAJBDZ
SMILES: CC(C)C1C(=O)NCCCCCCN(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC(=O)N1)CCCCN)CCCCN)CCCCN)CC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)N

Names:
    AIDS-122356
    AIDS122356
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Val-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-2-methyl-propyl]-2-[[2-[(3S,6S,9S,18S)-3,6,9-tris(4-aminobutyl)-2,5,8,11,16,19-hexaoxo-18-propan-2-yl-1,4,7,10,17,20-hexazacyclohexacos-1-yl]acetyl]amino]hexanamide

Registries:
    PubChem CID 493004
    PubChem ID 218750