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

Systemtic Name: 3-[[(2S)-2-(cyclohexylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-2-(cyclohexylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-2-[[cyclohexylmethoxy(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-2-(cyclohexylmethoxycarbonylamino)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-2-(cyclohexylmethoxycarbonylamino)-3-methyl-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C18H29FN2O6 MolecularWeight: 388.431063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1CCCCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1CCCCC1

InChI

InChI=1S/C18H29FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h11-13,16H,3-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1