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

Systemtic Name: (2S)-2-[(3-bromophenyl)methyl-(2,4-dimethoxyphenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(3-bromophenyl)methyl-(2,4-dimethoxybenzoyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(3-bromophenyl)methyl-[(2,4-dimethoxyphenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(3-bromophenyl)methyl-(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3-bromobenzyl)-(2,4-dimethoxybenzoyl)amino]-3-phenyl-propionic acid Formula: C25H24BrNO5 MolecularWeight: 498.36576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrNO5/c1-31-20-11-12-21(23(15-20)32-2)24(28)27(16-18-9-6-10-19(26)13-18)22(25(29)30)14-17-7-4-3-5-8-17/h3-13,15,22H,14,16H2,1-2H3,(H,29,30)/t22-/m0/s1