2-azanyl-6-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-3-fluoranyl-heptanedioic acid

Systemtic Name: 2-azanyl-6-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-3-fluoranyl-heptanedioic acid Openeye Name: 2-amino-6-[[2-(2-aminopropanoylamino)-3-methyl-butanoyl]amino]-3-fluoro-heptanedioic acid CAS Name: 2-amino-6-[[2-[(2-amino-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-fluoroheptanedioic acid IUPAC Name: 2-amino-6-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-fluoroheptanedioic acid Traditional Name: 6-[[2-(alanylamino)-3-methyl-butanoyl]amino]-2-amino-3-fluoro-pimelic acid Formula: C15H27FN4O6 MolecularWeight: 378.396483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC(C(C(=O)O)N)F)C(=O)O)NC(=O)C(C)N

Isomeric SMILES

CC(C)C(C(=O)NC(CCC(C(C(=O)O)N)F)C(=O)O)NC(=O)C(C)N

InChI

InChI=1S/C15H27FN4O6/c1-6(2)11(20-12(21)7(3)17)13(22)19-9(14(23)24)5-4-8(16)10(18)15(25)26/h6-11H,4-5,17-18H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)(H,25,26)