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

Systemtic Name: 2-azanyl-6-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-3-chloranyl-3-fluoranyl-heptanedioic acid Openeye Name: 2-amino-6-[[2-(2-aminopropanoylamino)-3-methyl-butanoyl]amino]-3-chloro-3-fluoro-heptanedioic acid CAS Name: 2-amino-6-[[2-[(2-amino-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-chloro-3-fluoroheptanedioic acid IUPAC Name: 2-amino-6-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-chloro-3-fluoroheptanedioic acid Traditional Name: 6-[[2-(alanylamino)-3-methyl-butanoyl]amino]-2-amino-3-chloro-3-fluoro-pimelic acid Formula: C15H26ClFN4O6 MolecularWeight: 412.841543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26ClFN4O6/c1-6(2)9(21-11(22)7(3)18)12(23)20-8(13(24)25)4-5-15(16,17)10(19)14(26)27/h6-10H,4-5,18-19H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H,26,27)