2-[[4-methyl-2-(1-phenylethylcarbamoylamino)pentanoyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[4-methyl-2-(1-phenylethylcarbamoylamino)pentanoyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-(4-benzyloxyphenyl)-2-[[4-methyl-2-(1-phenylethylcarbamoylamino)pentanoyl]amino]propanoic acid CAS Name: 2-[[4-methyl-1-oxo-2-[[oxo-(1-phenylethylamino)methyl]amino]pentyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[4-methyl-2-(1-phenylethylcarbamoylamino)pentanoyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-(4-benzoxyphenyl)-2-[[4-methyl-2-(1-phenylethylcarbamoylamino)pentanoyl]amino]propionic acid Formula: C31H37N3O5 MolecularWeight: 531.64258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O5/c1-21(2)19-27(33-30(38)32-22(3)24-13-9-6-10-14-24)28(35)34-31(4,29(36)37)25-15-17-26(18-16-25)39-20-23-11-7-5-8-12-23/h5-18,21-22,27H,19-20H2,1-4H3,(H,34,35)(H,36,37)(H2,32,33,38)