1-[2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(Z)-2-benzamido-3-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]-1-oxoprop-2-enyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[(Z)-2-benzamido-3-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[(Z)-2-benzamido-3-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]acryloyl]amino]propanoyl]proline Formula: C26H30N6O7S MolecularWeight: 570.6174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC=C(C(=O)NC(C)C(=O)N2CCCC2C(=O)O)NC(=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N/C=C(/C(=O)NC(C)C(=O)N2CCCC2C(=O)O)\NC(=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C26H30N6O7S/c1-4-39-25(38)17-13-28-26(40-3)31-20(17)27-14-18(30-21(33)16-9-6-5-7-10-16)22(34)29-15(2)23(35)32-12-8-11-19(32)24(36)37/h5-7,9-10,13-15,19H,4,8,11-12H2,1-3H3,(H,29,34)(H,30,33)(H,36,37)(H,27,28,31)/b18-14-