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

Systemtic Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(3-fluorophenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2S)-1-[(cyclohexylamino)-oxomethyl]-4-[(3-fluorophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C28H34FN5O5 MolecularWeight: 539.598463

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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)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C28H34FN5O5/c1-39-27(37)23(15-19-7-6-12-30-17-19)32-25(35)24-18-33(26(36)20-8-5-9-21(29)16-20)13-14-34(24)28(38)31-22-10-3-2-4-11-22/h5-9,12,16-17,22-24H,2-4,10-11,13-15,18H2,1H3,(H,31,38)(H,32,35)/t23-,24+/m1/s1