Cho-Arg (trifluoroacetate salt)
HIT214321096
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HIT ID: HIT214321096
Cas No: 1609010-56-1
分子式: C43H71F6N5O7
分子量: 884.059
常用名: Cho-Arg (trifluoroacetate salt)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 6-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanoate; bis(trifluoroacetic acid)
IUPAC: (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 6-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanoate; bis(trifluoroacetic acid)
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCNC(=O)[C@@H](N)CCCNC(N)=N)[C@H](C)CCCC(C)C |t:21|
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCCCCNC(=O)[C@@H](N)CCCNC(N)=N)[C@H](C)CCCC(C)C |t:21|
InChI key: JUXKTYZUYMWLSD-VFBLCMJGSA-N
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