3-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-2-cyclohexyl-acetyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-cyclohexyl-1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(benzyloxycarbonylamino)-2-cyclohexyl-acetyl]amino]-5-fluoro-4-keto-valeric acid Formula: C21H27FN2O6 MolecularWeight: 422.447283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27FN2O6/c22-12-17(25)16(11-18(26)27)23-20(28)19(15-9-5-2-6-10-15)24-21(29)30-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13H2,(H,23,28)(H,24,29)(H,26,27)/t16?,19-/m0/s1