5-[[[(2S)-2-amino-3-phenyl-propanoyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]benzoic acid hydrochloride
Molecular Formula:
C31H28ClF3N4O5
InChI: InChI=1/C31H27F3N4O5.ClH/c32-31(33,34)20-11-13-26(37-24-9-5-4-8-21(24)29(40)41)27(16-20)38-25-12-10-19(14-22(25)30(42)43)17-36-28(39)23(35)15-18-6-2-1-3-7-18;/h1-14,16,23,37-38H,15,17,35H2,(H,36,39)(H,40,41)(H,42,43);1H/t23-;/m0./s1/f/h36,40,42H;
InChIKey: InChIKey=YUFNWDWMEFQTCR-LEBIPJMMDQ
SMILES: C1=CC=C(C=C1)CC(C(=O)NCC2=CC(=C(C=C2)NC3=C(C=CC(=C3)C(F)(F)F)NC4=CC=CC=C4C(=O)O)C(=O)O)N.Cl
Names:
5-[[[(2S)-2-amino-3-phenyl-propanoyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]benzoic acid hydrochloride
Registries:
PubChem CID 10371804
PubChem ID 15385383
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