AIDS-122350

Molecular Formula: C₅₅H₉₆N₁₄O₁₁S

InChI: InChI=1/C55H96N14O11S/c1-36(2)48-54(79)61-31-15-3-4-16-32-69(34-47(73)63-40(18-8-12-28-57)51(76)66-43(33-37-23-25-38(70)26-24-37)53(78)67-44(35-81)49(60)74)55(80)42(20-10-14-30-59)65-52(77)41(19-9-13-29-58)64-50(75)39(17-7-11-27-56)62-45(71)21-5-6-22-46(72)68-48/h23-26,36,39-44,48,70,81H,3-22,27-35,56-59H2,1-2H3,(H2,60,74)(H,61,79)(H,62,71)(H,63,73)(H,64,75)(H,65,77)(H,66,76)(H,67,78)(H,68,72)/t39-,40-,41-,42-,43-,44-,48-/m0/s1/f/h61-68H,60H2

InChIKey: InChIKey=SCHGFHBZQDSRHA-YOZSHKCLDX
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=C(C=C2)O)C(=O)NC(CS)C(=O)N

Names:
    AIDS-122350
    AIDS122350
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Tyr-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-2-(4-hydroxyphenyl)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 492998
    PubChem ID 218744