[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid [2-keto-2-(methylamino)ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-23-20(26)14-29-21(27)19(11-16-12-24-18-10-6-5-9-17(16)18)25-22(28)30-13-15-7-3-2-4-8-15/h2-10,12,19,24H,11,13-14H2,1H3,(H,23,26)(H,25,28)/t19-/m0/s1