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

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: (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]propanoate IUPAC Name: (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)propionate Formula: C21H20N3O5- MolecularWeight: 394.4006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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