[2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-[(3S)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-keto-2-[(3S)-2-keto-3-methyl-indolin-5-yl]ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)COC(=O)C(C)NC(=O)NC3=CC=CC=C3)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)C(=O)COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3)NC1=O

InChI

InChI=1S/C21H21N3O5/c1-12-16-10-14(8-9-17(16)24-19(12)26)18(25)11-29-20(27)13(2)22-21(28)23-15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,24,26)(H2,22,23,28)/t12-,13-/m0/s1