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

Systemtic Name: (2S)-1-[(4R)-5-oxidanyl-5-oxidanylidene-4-(phenylcarbamoylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-[(4R)-5-hydroxy-5-oxo-4-(phenylcarbamoylamino)pentanoyl]indoline-2-carboxylic acid CAS Name: (2S)-1-[(4R)-4-[[anilino(oxo)methyl]amino]-5-hydroxy-1,5-dioxopentyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-[(4R)-5-hydroxy-5-oxo-4-(phenylcarbamoylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-[(4R)-5-hydroxy-5-keto-4-(phenylcarbamoylamino)pentanoyl]indoline-2-carboxylic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)C(=O)CCC(C(=O)O)NC(=O)NC3=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)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O6/c25-18(24-16-9-5-4-6-13(16)12-17(24)20(28)29)11-10-15(19(26)27)23-21(30)22-14-7-2-1-3-8-14/h1-9,15,17H,10-12H2,(H,26,27)(H,28,29)(H2,22,23,30)/t15-,17+/m1/s1