[2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenoxy]carbonyloxymethyl 2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenoxy]carbonyloxymethyl 2-azanyl-3-methyl-butanoate Openeye Name: [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenoxy]carbonyloxymethyl 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [[2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenoxy]-oxomethoxy]methyl ester IUPAC Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenoxy]carbonyloxymethyl 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenoxy]carbonyloxymethyl ester Formula: C26H28FN5O7 MolecularWeight: 541.528223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)OC(=O)OCOC(=O)C(C(C)C)N

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)OC(=O)OCOC(=O)C(C(C)C)N

InChI

InChI=1S/C26H28FN5O7/c1-4-19(33)15-6-7-17(27)21(23(15)39-26(36)38-12-37-24(34)22(29)13(2)3)16-9-18(16)31-25(35)32-20-8-5-14(10-28)11-30-20/h5-8,11,13,16,18,22H,4,9,12,29H2,1-3H3,(H2,30,31,32,35)