AIDS-122360
Molecular Formula:
C53H100N14O10S
InChI: InChI=1/C53H100N14O10S/c1-35(2)32-42(50(74)64-41(34-78)47(58)71)66(5)52(76)39(22-12-16-28-56)61-45(70)33-67-31-19-7-6-18-30-59-51(75)46(36(3)4)65-44(69)25-9-8-24-43(68)60-37(20-10-14-26-54)48(72)62-38(21-11-15-27-55)49(73)63-40(53(67)77)23-13-17-29-57/h35-42,46,78H,6-34,54-57H2,1-5H3,(H2,58,71)(H,59,75)(H,60,68)(H,61,70)(H,62,72)(H,63,73)(H,64,74)(H,65,69)/t37-,38-,39-,40-,41-,42-,46-/m0/s1/f/h59-65H,58H2
InChIKey: InChIKey=HMGHQZVPULLCHU-FOXMCEKTDV
SMILES: CC(C)CC(C(=O)NC(CS)C(=O)N)N(C)C(=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-122360
AIDS122360
Lys*-Lys-[C(=O)-(CH2)4-(C=O)]-Val-[NH-(CH2)6]-Asn[-CH2-(C=O)-Lys-MeL-Cys-NH2]-Lys-Lys*
(2S)-6-amino-N-[(1S)-1-[[(1S)-1-carbamoyl-2-sulfanyl-ethyl]carbamoyl]-3-methyl-butyl]-N-methyl-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 493008
PubChem ID 218754
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