(2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-1-(2-methyl-3-sulfanyl-propanoyl)-4-(4-pyridylmethyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-1-(3-mercapto-2-methyl-1-oxopropyl)-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-1-(2-methyl-3-sulfanylpropanoyl)-4-(pyridin-4-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-1-(3-mercapto-2-methyl-propanoyl)-4-(4-pyridylmethyl)-3-pyrroline-2-carboxylic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(=CC1C(=O)O)CC2=CC=NC=C2

Isomeric SMILES

CC(CS)C(=O)N1CC(=C[C@H]1C(=O)O)CC2=CC=NC=C2

InChI

InChI=1S/C15H18N2O3S/c1-10(9-21)14(18)17-8-12(7-13(17)15(19)20)6-11-2-4-16-5-3-11/h2-5,7,10,13,21H,6,8-9H2,1H3,(H,19,20)/t10?,13-/m0/s1