3-(2-azanyl-3-sulfanyl-propanoyl)-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 3-(2-azanyl-3-sulfanyl-propanoyl)-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 3-(2-amino-3-sulfanyl-propanoyl)-4-benzyl-piperidine-4-carboxylic acid CAS Name: 3-(2-amino-3-mercapto-1-oxopropyl)-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 3-(2-amino-3-sulfanylpropanoyl)-4-benzylpiperidine-4-carboxylic acid Traditional Name: 3-(2-amino-3-mercapto-propanoyl)-4-benzyl-isonipecotic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1(CC2=CC=CC=C2)C(=O)O)C(=O)C(CS)N

Isomeric SMILES

C1CNCC(C1(CC2=CC=CC=C2)C(=O)O)C(=O)C(CS)N

InChI

InChI=1S/C16H22N2O3S/c17-13(10-22)14(19)12-9-18-7-6-16(12,15(20)21)8-11-4-2-1-3-5-11/h1-5,12-13,18,22H,6-10,17H2,(H,20,21)