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

Systemtic Name: 3-oxidanyl-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-hydroxy-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]butyric acid Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-7-10(8(2)16(4)15-7)5-6-11(18)14-12(9(3)17)13(19)20/h5-6,9,12,17H,1-4H3,(H,14,18)(H,19,20)/b6-5+