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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CCC1=CC=CC=C1)CC2CC(CN2)S)N

Isomeric SMILES

CCC(C)C(C(=O)N(CCC1=CC=CC=C1)CC2CC(CN2)S)N

InChI

InChI=1S/C19H31N3OS/c1-3-14(2)18(20)19(23)22(13-16-11-17(24)12-21-16)10-9-15-7-5-4-6-8-15/h4-8,14,16-18,21,24H,3,9-13,20H2,1-2H3