methyl (2S)-3-(1H-indol-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-2-ylcarbonylamino)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(1H-indole-2-carbonylamino)propanoate CAS Name: (2S)-3-[[1H-indol-2-yl(oxo)methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indole-2-carbonylamino)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indole-2-carbonylamino)propionic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1=CC2=CC=CC=C2N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CNC(=O)C1=CC2=CC=CC=C2N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-28-20(26)18(24-21(27)29-13-14-7-3-2-4-8-14)12-22-19(25)17-11-15-9-5-6-10-16(15)23-17/h2-11,18,23H,12-13H2,1H3,(H,22,25)(H,24,27)/t18-/m0/s1