methyl (2S)-3-methyl-2-[[2-(3-oxidanylidene-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridin-4-yl]methylcarbamoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-(3-oxidanylidene-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridin-4-yl]methylcarbamoylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[3-oxo-4-(3-pyridyl)-1H-pyrazol-2-yl]-4-pyridyl]methylcarbamoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[[2-[3-oxo-4-(3-pyridinyl)-1H-pyrazol-2-yl]-4-pyridinyl]methylamino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridin-4-yl]methylcarbamoylamino]butanoate Traditional Name: (2S)-2-[[2-[5-keto-4-(3-pyridyl)-3-pyrazolin-1-yl]-4-pyridyl]methylcarbamoylamino]-3-methyl-butyric acid methyl ester Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)NCC1=CC(=NC=C1)N2C(=O)C(=CN2)C3=CN=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)NCC1=CC(=NC=C1)N2C(=O)C(=CN2)C3=CN=CC=C3

InChI

InChI=1S/C21H24N6O4/c1-13(2)18(20(29)31-3)26-21(30)24-10-14-6-8-23-17(9-14)27-19(28)16(12-25-27)15-5-4-7-22-11-15/h4-9,11-13,18,25H,10H2,1-3H3,(H2,24,26,30)/t18-/m0/s1