AIDS-122351

Molecular Formula: C₄₉H₉₂N₁₄O₁₁S

InChI: InChI=1/C49H92N14O11S/c1-32(2)42-48(73)55-27-15-3-4-16-28-63(29-41(67)57-34(18-8-12-24-51)45(70)60-37(30-64)47(72)61-38(31-75)43(54)68)49(74)36(20-10-14-26-53)59-46(71)35(19-9-13-25-52)58-44(69)33(17-7-11-23-50)56-39(65)21-5-6-22-40(66)62-42/h32-38,42,64,75H,3-31,50-53H2,1-2H3,(H2,54,68)(H,55,73)(H,56,65)(H,57,67)(H,58,69)(H,59,71)(H,60,70)(H,61,72)(H,62,66)/t33-,34-,35-,36-,37-,38-,42-/m0/s1/f/h55-62H,54H2

InChIKey: InChIKey=SSSFDNKHYJJKLU-LMFMTMJJDO
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(CO)C(=O)NC(CS)C(=O)N

Names:
    AIDS-122351
    AIDS122351
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Ser-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-2-hydroxy-ethyl]-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 492999
    PubChem ID 218745