methyl (2S)-3-(1H-indol-3-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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