methyl (2S)-2-[2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]prop-2-enoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]acryloyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C27H27ClN6O6 MolecularWeight: 566.99288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN6O6/c1-16-12-22(28)34-27(31-16)30-14-21(33-24(37)18-6-4-3-5-7-18)25(38)29-15-23(36)32-20(26(39)40-2)13-17-8-10-19(35)11-9-17/h3-12,14,20,35H,13,15H2,1-2H3,(H,29,38)(H,32,36)(H,33,37)(H,30,31,34)/b21-14-/t20-/m0/s1