(2S)-1-[(4R)-5-oxidanyl-5-oxidanylidene-4-(pyridin-3-ylcarbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2S)-1-[(4R)-5-oxidanyl-5-oxidanylidene-4-(pyridin-3-ylcarbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-[(4R)-5-hydroxy-5-oxo-4-(pyridine-3-carbonylamino)pentanoyl]indoline-2-carboxylic acid CAS Name: (2S)-1-[(4R)-5-hydroxy-1,5-dioxo-4-[[oxo(3-pyridinyl)methyl]amino]pentyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-[(4R)-5-hydroxy-5-oxo-4-(pyridine-3-carbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-[(4R)-5-hydroxy-5-keto-4-nicotinamido-pentanoyl]indoline-2-carboxylic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)C(=O)CCC(C(=O)O)NC(=O)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C21)C(=O)CC[C@H](C(=O)O)NC(=O)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C20H19N3O6/c24-17(23-15-6-2-1-4-12(15)10-16(23)20(28)29)8-7-14(19(26)27)22-18(25)13-5-3-9-21-11-13/h1-6,9,11,14,16H,7-8,10H2,(H,22,25)(H,26,27)(H,28,29)/t14-,16+/m1/s1