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

Systemtic Name: (phenylmethyl) 2-[[[1-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-pentan-2-yl]amino]methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[[1-[(2-amino-2-oxo-ethyl)sulfanylmethyl]-3-methyl-butyl]amino]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(2-amino-2-oxoethyl)thio]-4-methylpentan-2-yl]amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[[1-(2-amino-2-oxoethyl)sulfanyl-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[[1-[[(2-amino-2-keto-ethyl)thio]methyl]-3-methyl-butyl]amino]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-16(2)11-18(14-28-15-20(22)25)23-12-19-9-6-10-24(19)21(26)27-13-17-7-4-3-5-8-17/h3-5,7-8,16,18-19,23H,6,9-15H2,1-2H3,(H2,22,25)