(2S)-2-[(5-chloranyl-1-oxidanyl-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(5-chloranyl-1-oxidanyl-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(5-chloro-1-hydroxy-pyrrole-2-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(5-chloro-1-hydroxy-2-pyrrolyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(5-chloro-1-hydroxypyrrole-2-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(5-chloro-1-hydroxy-pyrrole-2-carbonyl)amino]-3-phenyl-propionic acid Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=C(N2O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=C(N2O)Cl

InChI

InChI=1S/C14H13ClN2O4/c15-12-7-6-11(17(12)21)13(18)16-10(14(19)20)8-9-4-2-1-3-5-9/h1-7,10,21H,8H2,(H,16,18)(H,19,20)/t10-/m0/s1