3-(2-azanyl-3-sulfanyl-propanoyl)-4-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 3-(2-azanyl-3-sulfanyl-propanoyl)-4-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid Openeye Name: 3-(2-amino-3-sulfanyl-propanoyl)-4-(1-naphthylmethyl)piperidine-4-carboxylic acid CAS Name: 3-(2-amino-3-mercapto-1-oxopropyl)-4-(1-naphthalenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(2-amino-3-sulfanylpropanoyl)-4-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid Traditional Name: 3-(2-amino-3-mercapto-propanoyl)-4-(1-naphthylmethyl)isonipecotic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1(CC2=CC=CC3=CC=CC=C32)C(=O)O)C(=O)C(CS)N

Isomeric SMILES

C1CNCC(C1(CC2=CC=CC3=CC=CC=C32)C(=O)O)C(=O)C(CS)N

InChI

InChI=1S/C20H24N2O3S/c21-17(12-26)18(23)16-11-22-9-8-20(16,19(24)25)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,16-17,22,26H,8-12,21H2,(H,24,25)