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

Systemtic Name: (phenylmethyl) 2-[[1-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[1-[(2-amino-2-oxo-ethyl)sulfanylmethyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(2-amino-2-oxoethyl)thio]-4-methylpentan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(2-amino-2-oxoethyl)sulfanyl-4-methylpentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-[[(2-amino-2-keto-ethyl)thio]methyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSCC(=O)N)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CSCC(=O)N)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H31N3O4S/c1-15(2)11-17(13-29-14-19(22)25)23-20(26)18-9-6-10-24(18)21(27)28-12-16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H2,22,25)(H,23,26)