AIDS-122361

Molecular Formula: C46H87N13O9S


InChI: InChI=1/C46H87N13O9S/c1-31(2)40-45(67)52-27-15-3-4-16-28-59(29-39(62)54-33(18-8-12-24-48)43(65)57-36(30-69)41(51)63)46(68)35(20-10-14-26-50)56-44(66)34(19-9-13-25-49)55-42(64)32(17-7-11-23-47)53-37(60)21-5-6-22-38(61)58-40/h31-36,40,69H,3-30,47-50H2,1-2H3,(H2,51,63)(H,52,67)(H,53,60)(H,54,62)(H,55,64)(H,56,66)(H,57,65)(H,58,61)/t32-,33-,34-,35-,36-,40-/m0/s1/f/h52-58H,51H2

InChIKey: InChIKey=NXLOTUBBGKEGEH-IDBQYGTRDB
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(CS)C(=O)N

Names:
    AIDS-122361
    AIDS122361
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[(1S)-1-carbamoyl-2-sulfanyl-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 493009
    PubChem ID 218755