(3R)-3-[[(2R)-2-[2-[1-(carboxymethyl)cyclohexyl]ethanoylamino]-4-methyl-pentanoyl]amino]-5,5-bis(fluoranyl)-2-oxidanylidene-pentanoic acid

Systemtic Name: (3R)-3-[[(2R)-2-[2-[1-(carboxymethyl)cyclohexyl]ethanoylamino]-4-methyl-pentanoyl]amino]-5,5-bis(fluoranyl)-2-oxidanylidene-pentanoic acid Openeye Name: (3R)-3-[[(2R)-2-[[2-[1-(carboxymethyl)cyclohexyl]acetyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-oxo-pentanoic acid CAS Name: (3R)-3-[[(2R)-2-[[2-[1-(carboxymethyl)cyclohexyl]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-5,5-difluoro-2-oxopentanoic acid IUPAC Name: (3R)-3-[[(2R)-2-[[2-[1-(carboxymethyl)cyclohexyl]acetyl]amino]-4-methylpentanoyl]amino]-5,5-difluoro-2-oxopentanoic acid Traditional Name: (3R)-3-[[(2R)-2-[[2-[1-(carboxymethyl)cyclohexyl]acetyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-keto-valeric acid Formula: C21H32F2N2O7 MolecularWeight: 462.484786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(F)F)C(=O)C(=O)O)NC(=O)CC1(CCCCC1)CC(=O)O

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CC(F)F)C(=O)C(=O)O)NC(=O)CC1(CCCCC1)CC(=O)O

InChI

InChI=1S/C21H32F2N2O7/c1-12(2)8-14(19(30)25-13(9-15(22)23)18(29)20(31)32)24-16(26)10-21(11-17(27)28)6-4-3-5-7-21/h12-15H,3-11H2,1-2H3,(H,24,26)(H,25,30)(H,27,28)(H,31,32)/t13-,14-/m1/s1