3-[(6-cyanopyridin-3-yl)carbamoylamino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(6-cyanopyridin-3-yl)carbamoylamino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-[(6-cyano-3-pyridyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 3-[[[(6-cyano-3-pyridinyl)amino]-oxomethyl]amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(6-cyanopyridin-3-yl)carbamoylamino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-3-[(6-cyano-3-pyridyl)carbamoylamino]-4-keto-butyric acid Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CN=C(C=C2)C#N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CN=C(C=C2)C#N

InChI

InChI=1S/C21H21N5O6/c1-32-20(30)17(9-13-5-3-2-4-6-13)25-19(29)16(10-18(27)28)26-21(31)24-15-8-7-14(11-22)23-12-15/h2-8,12,16-17H,9-10H2,1H3,(H,25,29)(H,27,28)(H2,24,26,31)