(2S)-2-[[(2S)-2-(2-cyanoethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(2S)-2-(2-cyanoethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[(2-cyano-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[(2-cyanoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionate Formula: C21H20N3O4- MolecularWeight: 378.4012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])NC(=O)CC#N

InChI

InChI=1S/C21H21N3O4/c22-12-11-19(25)23-17(13-15-7-3-1-4-8-15)20(26)24-18(21(27)28)14-16-9-5-2-6-10-16/h1-10,17-18H,11,13-14H2,(H,23,25)(H,24,26)(H,27,28)/p-1/t17-,18-/m0/s1