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

Systemtic Name: methyl (2R)-2-[[(2R)-1-cyclohexylcarbonyl-4-(phenylcarbamoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-4-[anilino(oxo)methyl]-1-[cyclohexyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)C3CCCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@H]2CN(CCN2C(=O)C3CCCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O5/c1-38-27(36)23(17-20-9-8-14-29-18-20)31-25(34)24-19-32(28(37)30-22-12-6-3-7-13-22)15-16-33(24)26(35)21-10-4-2-5-11-21/h3,6-9,12-14,18,21,23-24H,2,4-5,10-11,15-17,19H2,1H3,(H,30,37)(H,31,34)/t23-,24-/m1/s1