2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]acryloyl]amino]hexanoic acid Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(=CNC1=NC(=NC=C1C(=O)OCC)SC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C(=C/NC1=NC(=NC=C1C(=O)OCC)SC)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H29N5O6S/c1-4-6-12-17(22(32)33)27-21(31)18(28-20(30)15-10-8-7-9-11-15)14-25-19-16(23(34)35-5-2)13-26-24(29-19)36-3/h7-11,13-14,17H,4-6,12H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)(H,25,26,29)/b18-14-