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

Systemtic Name: (2S)-1-[(4R)-4-acetamido-5-oxidanyl-5-oxidanylidene-pentanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-[(4R)-4-acetamido-5-hydroxy-5-oxo-pentanoyl]indoline-2-carboxylic acid CAS Name: (2S)-1-[(4R)-4-acetamido-5-hydroxy-1,5-dioxopentyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-[(4R)-4-acetamido-5-hydroxy-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-[(4R)-4-acetamido-5-hydroxy-5-keto-pentanoyl]indoline-2-carboxylic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)N1C(CC2=CC=CC=C21)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@H](CCC(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O6/c1-9(19)17-11(15(21)22)6-7-14(20)18-12-5-3-2-4-10(12)8-13(18)16(23)24/h2-5,11,13H,6-8H2,1H3,(H,17,19)(H,21,22)(H,23,24)/t11-,13+/m1/s1