2-azanyl-3-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]-1-piperidyl]-3-oxo-propanoic acid CAS Name: 2-amino-3-[4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinyl]-3-oxopropanoic acid IUPAC Name: 2-amino-3-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-oxopropanoic acid Traditional Name: 2-amino-3-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidino]-3-keto-propionic acid Formula: C20H23FN6O5 MolecularWeight: 446.432223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)C(=O)C(C(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)C(=O)C(C(=O)O)N

InChI

InChI=1S/C20H23FN6O5/c1-32-14-3-2-10(21)8-12(14)16(28)13-9-24-20(26-17(13)23)25-11-4-6-27(7-5-11)18(29)15(22)19(30)31/h2-3,8-9,11,15H,4-7,22H2,1H3,(H,30,31)(H3,23,24,25,26)