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

Systemtic Name: 2-azanyl-3-methyl-N-(phenylmethyl)-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide Openeye Name: 2-amino-N-benzyl-3-methyl-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide CAS Name: 2-amino-N-[(4-mercapto-2-pyrrolidinyl)methyl]-3-methyl-N-(phenylmethyl)pentanamide IUPAC Name: 2-amino-N-benzyl-3-methyl-N-[(4-sulfanylpyrrolidin-2-yl)methyl]pentanamide Traditional Name: 2-amino-N-benzyl-N-[(4-mercaptopyrrolidin-2-yl)methyl]-3-methyl-valeramide Formula: C18H29N3OS MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC1CC(CN1)S)CC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C(=O)N(CC1CC(CN1)S)CC2=CC=CC=C2)N

InChI

InChI=1S/C18H29N3OS/c1-3-13(2)17(19)18(22)21(11-14-7-5-4-6-8-14)12-15-9-16(23)10-20-15/h4-8,13,15-17,20,23H,3,9-12,19H2,1-2H3