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

Systemtic Name: (2S)-2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(Z)-2-benzamido-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]acryloyl]amino]-3-phenyl-propionic acid Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N/C=C(/C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)\NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H25N5O4/c1-16-13-17(2)28-25(27-16)26-15-21(30-22(31)19-11-7-4-8-12-19)23(32)29-20(24(33)34)14-18-9-5-3-6-10-18/h3-13,15,20H,14H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H,26,27,28)/b21-15-/t20-/m0/s1