methyl (2S)-2-[[(2R)-1-cyclohexylcarbonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-1-cyclohexylcarbonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-1-[cyclohexyl(oxo)methyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-nicotinoyl-piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C29H36N4O6 MolecularWeight: 536.61934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)C3CCCCC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@H]2CN(CCN2C(=O)C3CCCCC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H36N4O6/c1-38-23-12-10-20(11-13-23)17-24(29(37)39-2)31-26(34)25-19-32(27(35)22-9-6-14-30-18-22)15-16-33(25)28(36)21-7-4-3-5-8-21/h6,9-14,18,21,24-25H,3-5,7-8,15-17,19H2,1-2H3,(H,31,34)/t24-,25+/m0/s1