AIDS-122357
Molecular Formula:
C52H99N15O10S
InChI: InChI=1/C52H99N15O10S/c1-35(2)45-51(76)59-31-17-3-4-18-32-67(33-44(70)61-37(20-8-13-27-54)48(73)63-39(22-10-15-29-56)50(75)65-41(34-78)46(58)71)52(77)40(23-11-16-30-57)64-49(74)38(21-9-14-28-55)62-47(72)36(19-7-12-26-53)60-42(68)24-5-6-25-43(69)66-45/h35-41,45,78H,3-34,53-57H2,1-2H3,(H2,58,71)(H,59,76)(H,60,68)(H,61,70)(H,62,72)(H,63,73)(H,64,74)(H,65,75)(H,66,69)/t36-,37-,38-,39-,40-,41-,45-/m0/s1/f/h59-66H,58H2
InChIKey: InChIKey=WYDBGFHQTURLRQ-UVDUBFQEDG
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(CCCCN)C(=O)NC(CS)C(=O)N
Names:
AIDS-122357
AIDS122357
Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-Lys-Cys-NH2]-Lys-Lys*
(2S)-6-amino-N-[(1S)-5-amino-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]pentyl]-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 493005
PubChem ID 218751
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