3-[2-(3-azanyl-6-methyl-2-oxidanylidene-pyrazin-1-yl)ethanoylamino]-3-(3-fluorophenyl)propanoic acid

Systemtic Name: 3-[2-(3-azanyl-6-methyl-2-oxidanylidene-pyrazin-1-yl)ethanoylamino]-3-(3-fluorophenyl)propanoic acid Openeye Name: 3-[[2-(3-amino-6-methyl-2-oxo-pyrazin-1-yl)acetyl]amino]-3-(3-fluorophenyl)propanoic acid CAS Name: 3-[[2-(3-amino-6-methyl-2-oxo-1-pyrazinyl)-1-oxoethyl]amino]-3-(3-fluorophenyl)propanoic acid IUPAC Name: 3-[[2-(3-amino-6-methyl-2-oxopyrazin-1-yl)acetyl]amino]-3-(3-fluorophenyl)propanoic acid Traditional Name: 3-[[2-(3-amino-2-keto-6-methyl-pyrazin-1-yl)acetyl]amino]-3-(3-fluorophenyl)propionic acid Formula: C16H17FN4O4 MolecularWeight: 348.328983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=O)N1CC(=O)NC(CC(=O)O)C2=CC(=CC=C2)F)N

Isomeric SMILES

CC1=CN=C(C(=O)N1CC(=O)NC(CC(=O)O)C2=CC(=CC=C2)F)N

InChI

InChI=1S/C16H17FN4O4/c1-9-7-19-15(18)16(25)21(9)8-13(22)20-12(6-14(23)24)10-3-2-4-11(17)5-10/h2-5,7,12H,6,8H2,1H3,(H2,18,19)(H,20,22)(H,23,24)