4-[(2-methylphenyl)carbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[(2-methylphenyl)carbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)acetyl]-4-(o-tolylcarbamoyl)-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(2-methylanilino)-oxomethyl]-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(2-methylphenyl)carbamoyl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)acetyl]-4-(o-tolylcarbamoyl)-5-phenyl-proline Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H31N3O6/c1-16-10-8-9-13-19(16)28-23(31)18-14-20(24(32)33)29(22(18)17-11-6-5-7-12-17)21(30)15-27-25(34)35-26(2,3)4/h5-13,18,20,22H,14-15H2,1-4H3,(H,27,34)(H,28,31)(H,32,33)