AIDS-122352

Molecular Formula: C₄₈H₉₀N₁₄O₁₀S

InChI: InChI=1/C48H90N14O10S/c1-32(2)42-47(71)54-27-15-3-4-16-28-62(30-41(66)57-33(17-7-11-23-49)44(68)55-29-40(65)58-37(31-73)43(53)67)48(72)36(20-10-14-26-52)60-46(70)35(19-9-13-25-51)59-45(69)34(18-8-12-24-50)56-38(63)21-5-6-22-39(64)61-42/h32-37,42,73H,3-31,49-52H2,1-2H3,(H2,53,67)(H,54,71)(H,55,68)(H,56,63)(H,57,66)(H,58,65)(H,59,69)(H,60,70)(H,61,64)/t33-,34-,35-,36-,37-,42-/m0/s1/f/h54-61H,53H2

InChIKey: InChIKey=XRZSOLFNJZRXJR-MTNHEIMTDI
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)NCC(=O)NC(CS)C(=O)N

Names:
    AIDS-122352
    AIDS122352
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Gly-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoylmethyl]-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 493000
    PubChem ID 218746