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

Systemtic Name: (2S)-1-[(4R)-4-benzamido-5-oxidanyl-5-oxidanylidene-pentanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-[(4R)-4-benzamido-5-hydroxy-5-oxo-pentanoyl]indoline-2-carboxylic acid CAS Name: (2S)-1-[(4R)-4-benzamido-5-hydroxy-1,5-dioxopentyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-[(4R)-4-benzamido-5-hydroxy-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-[(4R)-4-benzamido-5-hydroxy-5-keto-pentanoyl]indoline-2-carboxylic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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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=CC=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=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O6/c24-18(23-16-9-5-4-8-14(16)12-17(23)21(28)29)11-10-15(20(26)27)22-19(25)13-6-2-1-3-7-13/h1-9,15,17H,10-12H2,(H,22,25)(H,26,27)(H,28,29)/t15-,17+/m1/s1