5-azanyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]valeric acid Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H16N4O4/c1-16-7-8(6-14-16)2-5-11(18)15-9(12(19)20)3-4-10(13)17/h2,5-7,9H,3-4H2,1H3,(H2,13,17)(H,15,18)(H,19,20)/b5-2+