(phenylmethyl) 2-[[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[[1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[[1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butyl]amino]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N)NCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)N)NCC1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H32N4O4/c1-15(2)11-18(20(27)24-13-19(22)26)23-12-17-9-6-10-25(17)21(28)29-14-16-7-4-3-5-8-16/h3-5,7-8,15,17-18,23H,6,9-14H2,1-2H3,(H2,22,26)(H,24,27)