(2R)-2-[2-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)ethylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[2-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)ethylcarbamoylamino]-3-phenyl-propanoate Openeye Name: (2R)-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)ethylcarbamoylamino]-3-phenyl-propanoate CAS Name: (2R)-2-[[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2R)-2-[2-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)ethylcarbamoylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[2-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)ethylcarbamoylamino]-3-phenyl-propionate Formula: C20H21N4O4- MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1CCNC(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-])C#N)C

InChI

InChI=1S/C20H22N4O4/c1-13-10-14(2)24(18(25)16(13)12-21)9-8-22-20(28)23-17(19(26)27)11-15-6-4-3-5-7-15/h3-7,10,17H,8-9,11H2,1-2H3,(H,26,27)(H2,22,23,28)/p-1/t17-/m1/s1