2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]acetate CAS Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]acetate IUPAC Name: 2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]acetate Formula: C21H20N3O5- MolecularWeight: 394.4006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C21H21N3O5/c25-19(26)12-23-20(27)18(10-15-11-22-17-9-5-4-8-16(15)17)24-21(28)29-13-14-6-2-1-3-7-14/h1-9,11,18,22H,10,12-13H2,(H,23,27)(H,24,28)(H,25,26)/p-1/t18-/m0/s1