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

Systemtic Name: 1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-amino-3-sulfanyl-propanoyl)-4-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-(2-amino-3-mercapto-1-oxopropyl)-4-[(2,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-amino-3-sulfanylpropanoyl)-4-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-amino-3-mercapto-propanoyl)-4-(2,4-dichlorobenzyl)isonipecotic acid Formula: C16H20Cl2N2O3S MolecularWeight: 391.3126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=C(C=C(C=C2)Cl)Cl)C(=O)O)C(=O)C(CS)N

Isomeric SMILES

C1CN(CCC1(CC2=C(C=C(C=C2)Cl)Cl)C(=O)O)C(=O)C(CS)N

InChI

InChI=1S/C16H20Cl2N2O3S/c17-11-2-1-10(12(18)7-11)8-16(15(22)23)3-5-20(6-4-16)14(21)13(19)9-24/h1-2,7,13,24H,3-6,8-9,19H2,(H,22,23)