4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(2-benzyl-3-sulfanyl-propanoyl)amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(2-benzyl-3-sulfanylpropanoyl)amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(2-benzyl-3-mercapto-propanoyl)amino]-1H-pyrrole-2-carboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CNC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CNC(=C2)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c18-14(17-12-7-13(15(19)20)16-8-12)11(9-21)6-10-4-2-1-3-5-10/h1-5,7-8,11,16,21H,6,9H2,(H,17,18)(H,19,20)