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

Systemtic Name: methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-(3-fluorophenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2S)-1-[cyclohexyl(oxo)methyl]-4-[(3-fluorophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C28H33FN4O5 MolecularWeight: 524.583823

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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)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN4O5/c1-38-28(37)23(15-19-7-6-12-30-17-19)31-25(34)24-18-32(26(35)21-10-5-11-22(29)16-21)13-14-33(24)27(36)20-8-3-2-4-9-20/h5-7,10-12,16-17,20,23-24H,2-4,8-9,13-15,18H2,1H3,(H,31,34)/t23-,24+/m1/s1