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

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C21H23N3O4/c1-14-11-16-9-5-6-10-18(16)24(14)19(25)13-28-20(26)17(23-21(22)27)12-15-7-3-2-4-8-15/h2-10,14,17H,11-13H2,1H3,(H3,22,23,27)/t14-,17-/m0/s1