(2S)-2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(Z)-2-benzamido-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]prop-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]acryloyl]amino]-3-phenyl-propionic acid Formula: C24H22ClN5O4 MolecularWeight: 479.91558

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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)Cl

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)Cl

InChI

InChI=1S/C24H22ClN5O4/c1-15-12-20(25)30-24(27-15)26-14-19(29-21(31)17-10-6-3-7-11-17)22(32)28-18(23(33)34)13-16-8-4-2-5-9-16/h2-12,14,18H,13H2,1H3,(H,28,32)(H,29,31)(H,33,34)(H,26,27,30)/b19-14-/t18-/m0/s1