(2S,4S)-2-[[(3-methoxycarbonylphenyl)carbonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: (2S,4S)-2-[[(3-methoxycarbonylphenyl)carbonylamino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: (2S,4S)-2-[[(3-methoxycarbonylbenzoyl)amino]methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: (2S,4S)-4-mercapto-2-[[[(3-methoxycarbonylphenyl)-oxomethyl]amino]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-2-[[(3-methoxycarbonylbenzoyl)amino]methyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: (2S,4S)-2-[[(3-carbomethoxybenzoyl)amino]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCC2CC(CN2C(=O)O)S

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC[C@@H]2C[C@@H](CN2C(=O)O)S

InChI

InChI=1S/C15H18N2O5S/c1-22-14(19)10-4-2-3-9(5-10)13(18)16-7-11-6-12(23)8-17(11)15(20)21/h2-5,11-12,23H,6-8H2,1H3,(H,16,18)(H,20,21)/t11-,12-/m0/s1