(3S)-3-azanyl-4-[[4-[[5-azanyl-1-[2,6-bis(fluoranyl)phenyl]carbonyl-1,2,4-triazol-3-yl]amino]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[4-[[5-azanyl-1-[2,6-bis(fluoranyl)phenyl]carbonyl-1,2,4-triazol-3-yl]amino]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[4-[[5-amino-1-[(2,6-difluorophenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C19H17F2N7O6S MolecularWeight: 509.443386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C(CC(=O)O)N)N)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)[C@H](CC(=O)O)N)N)F

InChI

InChI=1S/C19H17F2N7O6S/c20-11-2-1-3-12(21)15(11)17(32)28-18(23)25-19(26-28)24-9-4-6-10(7-5-9)35(33,34)27-16(31)13(22)8-14(29)30/h1-7,13H,8,22H2,(H,27,31)(H,29,30)(H3,23,24,25,26)/t13-/m0/s1