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

Systemtic Name: 1-(2-azanyl-3-sulfanyl-propanoyl)-4-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-(2-amino-3-sulfanyl-propanoyl)-4-(o-tolylmethyl)piperidine-4-carboxylic acid CAS Name: 1-(2-amino-3-mercapto-1-oxopropyl)-4-[(2-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-amino-3-sulfanylpropanoyl)-4-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2-amino-3-mercapto-propanoyl)-4-(2-methylbenzyl)isonipecotic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC2(CCN(CC2)C(=O)C(CS)N)C(=O)O

InChI

InChI=1S/C17H24N2O3S/c1-12-4-2-3-5-13(12)10-17(16(21)22)6-8-19(9-7-17)15(20)14(18)11-23/h2-5,14,23H,6-11,18H2,1H3,(H,21,22)