4-(1-phenylpropyl)-1-(3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 4-(1-phenylpropyl)-1-(3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 4-(1-phenylpropyl)-1-(3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-(3-mercapto-1-oxopropyl)-4-(1-phenylpropyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 4-(1-phenylpropyl)-1-(3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-(3-mercaptopropanoyl)-4-(1-phenylpropyl)-3-pyrroline-2-carboxylic acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(N(C1)C(=O)CCS)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC(C1=CC(N(C1)C(=O)CCS)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c1-2-14(12-6-4-3-5-7-12)13-10-15(17(20)21)18(11-13)16(19)8-9-22/h3-7,10,14-15,22H,2,8-9,11H2,1H3,(H,20,21)