(phenylmethyl) N-[6-azanyl-1-(4-cyano-2-sulfanyl-pyrrolidin-1-yl)-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[6-azanyl-1-(4-cyano-2-sulfanyl-pyrrolidin-1-yl)-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: benzyl N-[5-amino-1-(4-cyano-2-sulfanyl-pyrrolidine-1-carbonyl)pentyl]carbamate CAS Name: N-[6-amino-1-(4-cyano-2-mercapto-1-pyrrolidinyl)-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-amino-1-(4-cyano-2-sulfanylpyrrolidin-1-yl)-1-oxohexan-2-yl]carbamate Traditional Name: N-[5-amino-1-(4-cyano-2-mercapto-pyrrolidine-1-carbonyl)pentyl]carbamic acid benzyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1S)C(=O)C(CCCCN)NC(=O)OCC2=CC=CC=C2)C#N

Isomeric SMILES

C1C(CN(C1S)C(=O)C(CCCCN)NC(=O)OCC2=CC=CC=C2)C#N

InChI

InChI=1S/C19H26N4O3S/c20-9-5-4-8-16(18(24)23-12-15(11-21)10-17(23)27)22-19(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,15-17,27H,4-5,8-10,12-13,20H2,(H,22,25)