2-[[4-methyl-2-[(phenylmethyl)amino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[4-methyl-2-[(phenylmethyl)amino]pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-[[2-(benzylamino)-4-methyl-pentanoyl]amino]-3-(4-benzyloxyphenyl)propanoic acid CAS Name: 2-[[4-methyl-1-oxo-2-[(phenylmethyl)amino]pentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[2-(benzylamino)-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[[2-(benzylamino)-4-methyl-pentanoyl]amino]propionic acid Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C29H34N2O4/c1-21(2)17-26(30-19-23-9-5-3-6-10-23)28(32)31-27(29(33)34)18-22-13-15-25(16-14-22)35-20-24-11-7-4-8-12-24/h3-16,21,26-27,30H,17-20H2,1-2H3,(H,31,32)(H,33,34)