AIDS-122358

Molecular Formula: C50H93N15O11S


InChI: InChI=1/C50H93N15O11S/c1-32(2)43-49(75)57-27-15-3-4-16-28-65(30-42(69)59-34(18-8-12-24-52)46(72)62-37(29-39(55)66)48(74)63-38(31-77)44(56)70)50(76)36(20-10-14-26-54)61-47(73)35(19-9-13-25-53)60-45(71)33(17-7-11-23-51)58-40(67)21-5-6-22-41(68)64-43/h32-38,43,77H,3-31,51-54H2,1-2H3,(H2,55,66)(H2,56,70)(H,57,75)(H,58,67)(H,59,69)(H,60,71)(H,61,73)(H,62,72)(H,63,74)(H,64,68)/t33-,34-,35-,36-,37-,38-,43-/m0/s1/f/h57-64H,55-56H2

InChIKey: InChIKey=LCHUWSZENYHSEF-XPKZTFSADV
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(CC(=O)N)C(=O)NC(CS)C(=O)N

Names:
    AIDS-122358
    AIDS122358
    Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Asn-Cys-NH2]-Lys-Lys*
    (2S)-2-[[(2S)-6-amino-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]hexanoyl]amino]-N-[(1S)-1-carbamoyl-2-sulfanyl-ethyl]butanediamide

Registries:
    PubChem CID 493006
    PubChem ID 218752