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

Systemtic Name: (phenylmethyl) 2-[[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-butoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]oxymethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-[(2-amino-2-keto-ethyl)carbamoyl]-3-methyl-butoxy]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N)OCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)N)OCC1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O5/c1-15(2)11-18(20(26)23-12-19(22)25)28-14-17-9-6-10-24(17)21(27)29-13-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H2,22,25)(H,23,26)