2-cyanoethyl (2S)-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate

Systemtic Name: 2-cyanoethyl (2S)-3-phenyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: 2-cyanoethyl (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-phenylpropanoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (2S)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-phenyl-propionic acid 2-cyanoethyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCCC#N)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCCC#N)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O5/c23-12-7-13-29-21(27)19(14-17-8-3-1-4-9-17)25-20(26)15-24-22(28)30-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,13-16H2,(H,24,28)(H,25,26)/t19-/m0/s1