AIDS-122359

Molecular Formula: C₅₉H₉₈N₁₄O₁₀S

InChI: InChI=1/C59H98N14O10S/c1-39(2)52-58(82)65-33-17-3-4-18-34-73(37-51(76)67-44(22-10-14-30-61)55(79)70-47(57(81)71-48(38-84)53(64)77)36-40-27-28-41-19-5-6-20-42(41)35-40)59(83)46(24-12-16-32-63)69-56(80)45(23-11-15-31-62)68-54(78)43(21-9-13-29-60)66-49(74)25-7-8-26-50(75)72-52/h5-6,19-20,27-28,35,39,43-48,52,84H,3-4,7-18,21-26,29-34,36-38,60-63H2,1-2H3,(H2,64,77)(H,65,82)(H,66,74)(H,67,76)(H,68,78)(H,69,80)(H,70,79)(H,71,81)(H,72,75)/t43-,44-,45-,46-,47-,48-,52-/m0/s1/f/h65-72H,64H2

InChIKey: InChIKey=VDEOLFBCRDTBIB-VPRAUQKKDB
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=CC3=CC=CC=C3C=C2)C(=O)NC(CS)C(=O)N

Names:
    AIDS-122359
    AIDS122359
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Nal-Cys-NH2]-Lys-Lys*
    (2S)-6-amino-N-[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-2-naphthalen-2-yl-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 493007
    PubChem ID 218753