(phenylmethyl) 2-[[5-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[5-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[5-[(3-amino-3-oxo-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate CAS Name: 2-[[[5-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-5-oxo-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate Traditional Name: 2-[[5-[(3-amino-3-keto-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-5-keto-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=O)N)NC(=O)C2CCC(=O)N2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=O)N)NC(=O)C2CCC(=O)N2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O6/c1-26-12-15(11-17(26)20(30)24-10-9-18(23)28)25-21(31)16-7-8-19(29)27(16)22(32)33-13-14-5-3-2-4-6-14/h2-6,11-12,16H,7-10,13H2,1H3,(H2,23,28)(H,24,30)(H,25,31)