(2S)-2-[(3-bromophenyl)methyl-(4-chloranyl-2-methoxy-phenyl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(3-bromophenyl)methyl-(4-chloranyl-2-methoxy-phenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(3-bromophenyl)methyl-(4-chloro-2-methoxy-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(3-bromophenyl)methyl-[(4-chloro-2-methoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(3-bromophenyl)methyl-(4-chloro-2-methoxybenzoyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3-bromobenzyl)-(4-chloro-2-methoxy-benzoyl)amino]-3-phenyl-propionic acid Formula: C24H21BrClNO4 MolecularWeight: 502.78484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)C(=O)N(CC2=CC(=CC=C2)Br)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)C(=O)N(CC2=CC(=CC=C2)Br)[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H21BrClNO4/c1-31-22-14-19(26)10-11-20(22)23(28)27(15-17-8-5-9-18(25)12-17)21(24(29)30)13-16-6-3-2-4-7-16/h2-12,14,21H,13,15H2,1H3,(H,29,30)/t21-/m0/s1