2-azanyl-6-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3,3-bis(fluoranyl)heptanedioic acid

Systemtic Name: 2-azanyl-6-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3,3-bis(fluoranyl)heptanedioic acid Openeye Name: 2-amino-6-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3,3-difluoro-heptanedioic acid CAS Name: 2-amino-6-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-3,3-difluoroheptanedioic acid IUPAC Name: 2-amino-6-[(2-amino-4-methylsulfanylbutanoyl)amino]-3,3-difluoroheptanedioic acid Traditional Name: 2-amino-6-[[2-amino-4-(methylthio)butanoyl]amino]-3,3-difluoro-pimelic acid Formula: C12H21F2N3O5S MolecularWeight: 357.374046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21F2N3O5S/c1-23-5-3-6(15)9(18)17-7(10(19)20)2-4-12(13,14)8(16)11(21)22/h6-8H,2-5,15-16H2,1H3,(H,17,18)(H,19,20)(H,21,22)