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

Systemtic Name: 4-[[2-(pyridin-3-ylmethyl)-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[2-(3-pyridylmethyl)-3-sulfanyl-propanoyl]amino]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[2-(mercaptomethyl)-1-oxo-3-(3-pyridinyl)propyl]amino]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[[2-(pyridin-3-ylmethyl)-3-sulfanylpropanoyl]amino]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[[2-(mercaptomethyl)-3-(3-pyridyl)propanoyl]amino]-1H-pyrrole-2-carboxylic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c18-13(17-11-5-12(14(19)20)16-7-11)10(8-21)4-9-2-1-3-15-6-9/h1-3,5-7,10,16,21H,4,8H2,(H,17,18)(H,19,20)