2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]acryloyl]amino]hexanoic acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(=CNC1=NC(=CC(=N1)C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C(=C/NC1=NC(=CC(=N1)C)C)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N5O4/c1-4-5-11-17(21(30)31)26-20(29)18(27-19(28)16-9-7-6-8-10-16)13-23-22-24-14(2)12-15(3)25-22/h6-10,12-13,17H,4-5,11H2,1-3H3,(H,26,29)(H,27,28)(H,30,31)(H,23,24,25)/b18-13-