2-azanyl-6-(2-azanylpropanoylamino)-3-chloranyl-3-fluoranyl-heptanedioic acid

Systemtic Name: 2-azanyl-6-(2-azanylpropanoylamino)-3-chloranyl-3-fluoranyl-heptanedioic acid Openeye Name: 2-amino-6-(2-aminopropanoylamino)-3-chloro-3-fluoro-heptanedioic acid CAS Name: 2-amino-6-[(2-amino-1-oxopropyl)amino]-3-chloro-3-fluoroheptanedioic acid IUPAC Name: 2-amino-6-(2-aminopropanoylamino)-3-chloro-3-fluoroheptanedioic acid Traditional Name: 6-(alanylamino)-2-amino-3-chloro-3-fluoro-pimelic acid Formula: C10H17ClFN3O5 MolecularWeight: 313.710483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17ClFN3O5/c1-4(13)7(16)15-5(8(17)18)2-3-10(11,12)6(14)9(19)20/h4-6H,2-3,13-14H2,1H3,(H,15,16)(H,17,18)(H,19,20)