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

Systemtic Name: 2-azanyl-6-[(2-azanyl-3-methyl-butanoyl)amino]-3,3-bis(fluoranyl)heptanedioic acid Openeye Name: 2-amino-6-[(2-amino-3-methyl-butanoyl)amino]-3,3-difluoro-heptanedioic acid CAS Name: 2-amino-6-[(2-amino-3-methyl-1-oxobutyl)amino]-3,3-difluoroheptanedioic acid IUPAC Name: 2-amino-6-[(2-amino-3-methylbutanoyl)amino]-3,3-difluoroheptanedioic acid Traditional Name: 2-amino-6-[(2-amino-3-methyl-butanoyl)amino]-3,3-difluoro-pimelic acid Formula: C12H21F2N3O5 MolecularWeight: 325.309046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21F2N3O5/c1-5(2)7(15)9(18)17-6(10(19)20)3-4-12(13,14)8(16)11(21)22/h5-8H,3-4,15-16H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)