3-[1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-4-phenyl-piperidin-4-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 3-[1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-4-phenyl-piperidin-4-yl]-N-(phenylmethyl)propanamide Openeye Name: 3-[1-[(2R)-2-amino-3-sulfanyl-propanoyl]-4-phenyl-4-piperidyl]-N-benzyl-propanamide CAS Name: 3-[1-[(2R)-2-amino-3-mercapto-1-oxopropyl]-4-phenyl-4-piperidinyl]-N-(phenylmethyl)propanamide IUPAC Name: 3-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-4-phenylpiperidin-4-yl]-N-benzylpropanamide Traditional Name: 3-[1-[(2R)-2-amino-3-mercapto-propanoyl]-4-phenyl-4-piperidyl]-N-benzyl-propionamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(CS)N

Isomeric SMILES

C1CN(CCC1(CCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@H](CS)N

InChI

InChI=1S/C24H31N3O2S/c25-21(18-30)23(29)27-15-13-24(14-16-27,20-9-5-2-6-10-20)12-11-22(28)26-17-19-7-3-1-4-8-19/h1-10,21,30H,11-18,25H2,(H,26,28)/t21-/m0/s1