2-azanyl-3-methyl-N-(1-phenylethyl)-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide

Systemtic Name: 2-azanyl-3-methyl-N-(1-phenylethyl)-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide Openeye Name: 2-amino-3-methyl-N-(1-phenylethyl)-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide CAS Name: 2-amino-N-[(4-mercapto-2-pyrrolidinyl)methyl]-3-methyl-N-(1-phenylethyl)pentanamide IUPAC Name: 2-amino-3-methyl-N-(1-phenylethyl)-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide Traditional Name: 2-amino-N-[(4-mercaptopyrrolidin-2-yl)methyl]-3-methyl-N-(1-phenylethyl)valeramide Formula: C19H31N3OS MolecularWeight: 349.53394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC1CC(CN1)S)C(C)C2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C(=O)N(CC1CC(CN1)S)C(C)C2=CC=CC=C2)N

InChI

InChI=1S/C19H31N3OS/c1-4-13(2)18(20)19(23)22(12-16-10-17(24)11-21-16)14(3)15-8-6-5-7-9-15/h5-9,13-14,16-18,21,24H,4,10-12,20H2,1-3H3