[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylmethoxycarbonylamino)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-14(25-22(28)29-13-15-7-3-2-4-8-15)21(27)30-19(20(23)26)11-16-12-24-18-10-6-5-9-17(16)18/h2-10,12,14,19,24H,11,13H2,1H3,(H2,23,26)(H,25,28)/t14-,19+/m0/s1