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

Systemtic Name: methyl (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2R)-4-[anilino(oxo)methyl]-1-[(cyclohexylamino)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C28H36N6O5 MolecularWeight: 536.62264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)NC3CCCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@H]2CN(CCN2C(=O)NC3CCCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H36N6O5/c1-39-26(36)23(17-20-9-8-14-29-18-20)32-25(35)24-19-33(27(37)30-21-10-4-2-5-11-21)15-16-34(24)28(38)31-22-12-6-3-7-13-22/h2,4-5,8-11,14,18,22-24H,3,6-7,12-13,15-17,19H2,1H3,(H,30,37)(H,31,38)(H,32,35)/t23-,24-/m1/s1