1-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4-phenyl-butyl]carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4-phenyl-butyl]carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[3-(tert-butoxycarbonylamino)-2-oxo-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[methyl-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-4-phenylbutyl]amino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[methyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutyl]carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[3-(tert-butoxycarbonylamino)-2-keto-4-phenyl-butyl]-methyl-carbamoyl]proline Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CN(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CN(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C22H31N3O6/c1-22(2,3)31-20(29)23-16(13-15-9-6-5-7-10-15)18(26)14-24(4)21(30)25-12-8-11-17(25)19(27)28/h5-7,9-10,16-17H,8,11-14H2,1-4H3,(H,23,29)(H,27,28)