[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-15(26)25-20(11-17-13-23-19-10-6-5-9-18(17)19)22(28)29-14-21(27)24-12-16-7-3-2-4-8-16/h2-10,13,20,23H,11-12,14H2,1H3,(H,24,27)(H,25,26)/t20-/m0/s1