AIDS-122355

Molecular Formula: C₅₅H₉₆N₁₄O₁₀S

InChI: InChI=1/C55H96N14O10S/c1-37(2)48-54(78)61-32-18-3-4-19-33-69(35-47(72)63-40(23-11-15-29-57)51(75)66-43(34-38-20-6-5-7-21-38)53(77)67-44(36-80)49(60)73)55(79)42(25-13-17-31-59)65-52(76)41(24-12-16-30-58)64-50(74)39(22-10-14-28-56)62-45(70)26-8-9-27-46(71)68-48/h5-7,20-21,37,39-44,48,80H,3-4,8-19,22-36,56-59H2,1-2H3,(H2,60,73)(H,61,78)(H,62,70)(H,63,72)(H,64,74)(H,65,76)(H,66,75)(H,67,77)(H,68,71)/t39-,40-,41-,42-,43-,44-,48-/m0/s1/f/h61-68H,60H2

InChIKey: InChIKey=IIIGYJGBIWTOQP-YOZSHKCLDP
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(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)N

Names:
    AIDS-122355
    AIDS122355
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Phe-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-2-phenyl-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 493003
    PubChem ID 218749