3-(4-benzamidophenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(4-benzamidophenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 3-(4-benzamidophenyl)-2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoic acid CAS Name: 3-(4-benzamidophenyl)-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 3-(4-benzamidophenyl)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 3-(4-benzamidophenyl)-2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propionic acid Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O6/c1-19(2)25(32-29(37)38-18-21-9-5-3-6-10-21)27(34)31-24(28(35)36)17-20-13-15-23(16-14-20)30-26(33)22-11-7-4-8-12-22/h3-16,19,24-25H,17-18H2,1-2H3,(H,30,33)(H,31,34)(H,32,37)(H,35,36)