3-[[(2S)-2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-(ethoxycarbonylamino)-3-methyl-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(carbethoxyamino)-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C13H21FN2O6 MolecularWeight: 320.314043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CCOC(=O)N[C@@H](C(C)C)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C13H21FN2O6/c1-4-22-13(21)16-11(7(2)3)12(20)15-8(5-10(18)19)9(17)6-14/h7-8,11H,4-6H2,1-3H3,(H,15,20)(H,16,21)(H,18,19)/t8?,11-/m0/s1