AIDS-122362

Molecular Formula: C₅₈H₁₁₂N₁₆O₁₀S

InChI: InChI=1/C58H112N16O10S/c1-39(2)35-46(56(82)72-47(38-85)52(64)78)66-36-41(21-9-14-28-59)67-53(79)42(22-10-15-29-60)69-50(77)37-74-34-20-6-5-19-33-65-57(83)51(40(3)4)73-49(76)27-8-7-26-48(75)68-43(23-11-16-30-61)54(80)70-44(24-12-17-31-62)55(81)71-45(58(74)84)25-13-18-32-63/h39-47,51,66,85H,5-38,59-63H2,1-4H3,(H2,64,78)(H,65,83)(H,67,79)(H,68,75)(H,69,77)(H,70,80)(H,71,81)(H,72,82)(H,73,76)/t41-,42-,43-,44-,45-,46-,47-,51-/m0/s1/f/h65,67-73H,64H2

InChIKey: InChIKey=UKVWJVSSPPTNSG-IAEVXYBTDV
SMILES: CC(C)CC(C(=O)NC(CS)C(=O)N)NCC(CCCCN)NC(=O)C(CCCCN)NC(=O)CN1CCCCCCNC(=O)C(NC(=O)CCCCC(=O)NC(C(=O)NC(C(=O)NC(C1=O)CCCCN)CCCCN)CCCCN)C(C)C

Names:
    AIDS-122362
    AIDS122362
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn{-CH2-(C=O)-Lys-[NH-CH(-(CH2)4-NH2)-CH2]-Leu-Cys-NH2
    (2S)-6-amino-N-[(2S)-6-amino-1-[[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-3-methyl-butyl]amino]hexan-2-yl]-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 493010
    PubChem ID 218756