methyl 1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-4-[[2,3-bis(chloranyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2R)-2-azanyl-3-sulfanyl-propanoyl]-4-[[2,3-bis(chloranyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2R)-2-amino-3-sulfanyl-propanoyl]-4-[(2,3-dichlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-amino-3-mercapto-1-oxopropyl]-4-[(2,3-dichlorophenyl)methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2R)-2-amino-3-sulfanylpropanoyl]-4-[(2,3-dichlorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-amino-3-mercapto-propanoyl]-4-(2,3-dichlorobenzyl)isonipecotic acid methyl ester Formula: C17H22Cl2N2O3S MolecularWeight: 405.33918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C(CS)N)CC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)[C@H](CS)N)CC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C17H22Cl2N2O3S/c1-24-16(23)17(9-11-3-2-4-12(18)14(11)19)5-7-21(8-6-17)15(22)13(20)10-25/h2-4,13,25H,5-10,20H2,1H3/t13-/m0/s1