AIDS-122353

Molecular Formula: C₄₉H₉₂N₁₄O₁₀S

InChI: InChI=1/C49H92N14O10S/c1-32(2)42-48(72)55-28-16-4-5-17-29-63(30-41(66)58-34(18-8-12-24-50)45(69)56-33(3)44(68)61-38(31-74)43(54)67)49(73)37(21-11-15-27-53)60-47(71)36(20-10-14-26-52)59-46(70)35(19-9-13-25-51)57-39(64)22-6-7-23-40(65)62-42/h32-38,42,74H,4-31,50-53H2,1-3H3,(H2,54,67)(H,55,72)(H,56,69)(H,57,64)(H,58,66)(H,59,70)(H,60,71)(H,61,68)(H,62,65)/t33-,34-,35-,36-,37-,38-,42-/m0/s1/f/h55-62H,54H2

InChIKey: InChIKey=YMIVDACZBPLGCU-LMFMTMJJDT
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(=O)NC(CS)C(=O)N

Names:
    AIDS-122353
    AIDS122353
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Ala-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]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 493001
    PubChem ID 218747