4-azanyl-4-oxidanylidene-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]butyric acid Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H18N4O4/c1-7-9(8(2)17(3)16-7)4-5-12(19)15-10(13(20)21)6-11(14)18/h4-5,10H,6H2,1-3H3,(H2,14,18)(H,15,19)(H,20,21)/b5-4+