1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2-chlorophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2-chlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-amino-3-sulfanyl-propanoyl)-4-[(2-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-(2-amino-3-mercapto-1-oxopropyl)-4-[(2-chlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-amino-3-sulfanylpropanoyl)-4-[(2-chlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-amino-3-mercapto-propanoyl)-4-(2-chlorobenzyl)isonipecotic acid Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2Cl)C(=O)O)C(=O)C(CS)N

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2Cl)C(=O)O)C(=O)C(CS)N

InChI

InChI=1S/C16H21ClN2O3S/c17-12-4-2-1-3-11(12)9-16(15(21)22)5-7-19(8-6-16)14(20)13(18)10-23/h1-4,13,23H,5-10,18H2,(H,21,22)