(phenylmethyl) 2-[(1-azanylcyclopentyl)carbonyl-(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(1-azanylcyclopentyl)carbonyl-(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(1-aminocyclopentanecarbonyl)-(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[(1-aminocyclopentyl)-oxomethyl]-(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-aminocyclopentanecarbonyl)-(2-amino-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(1-aminocyclopentanecarbonyl)-(2-amino-2-keto-ethyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N(CC(=O)N)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(C1)(C(=O)N(CC(=O)N)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H28N4O5/c22-17(26)13-25(19(28)21(23)10-4-5-11-21)18(27)16-9-6-12-24(16)20(29)30-14-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14,23H2,(H2,22,26)