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

Systemtic Name: 3-oxidanyl-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid Openeye Name: 3-hydroxy-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]propionic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/c1-7-9(8(2)15(3)14-7)4-5-11(17)13-10(6-16)12(18)19/h4-5,10,16H,6H2,1-3H3,(H,13,17)(H,18,19)/b5-4+