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

Systemtic Name: 4-(acetyloxymethyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(acetoxymethyl)-1-[2-(tert-butoxycarbonylamino)acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 4-(acetyloxymethyl)-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(acetyloxymethyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 4-(acetoxymethyl)-1-[2-(tert-butoxycarbonylamino)acetyl]-5-phenyl-proline Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)OCC1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H28N2O7/c1-13(24)29-12-15-10-16(19(26)27)23(18(15)14-8-6-5-7-9-14)17(25)11-22-20(28)30-21(2,3)4/h5-9,15-16,18H,10-12H2,1-4H3,(H,22,28)(H,26,27)