6-[3-oxidanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid

Systemtic Name: 6-[3-oxidanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid Openeye Name: 6-[2-[(1-carboxy-3-phenyl-propyl)amino]-3-hydroxy-propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid CAS Name: 6-[3-hydroxy-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid IUPAC Name: 6-[3-hydroxy-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid Traditional Name: 6-[2-[(1-carboxy-3-phenyl-propyl)amino]-3-hydroxy-propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-7-carboxylic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C=CS2)C(=O)O)C(=O)C(CO)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(C(C2=C1C=CS2)C(=O)O)C(=O)C(CO)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c24-12-16(22-15(20(26)27)7-6-13-4-2-1-3-5-13)19(25)23-10-8-14-9-11-30-18(14)17(23)21(28)29/h1-5,9,11,15-17,22,24H,6-8,10,12H2,(H,26,27)(H,28,29)