4-(2-azanylethanoylamino)benzoic acid; N-[[3-[3-fluoranyl-4-[4-(2-oxidanylethanoyl)piperazin-1-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]propanethioamide

Systemtic Name: 4-(2-azanylethanoylamino)benzoic acid; N-[[3-[3-fluoranyl-4-[4-(2-oxidanylethanoyl)piperazin-1-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]propanethioamide Openeye Name: 4-[(2-aminoacetyl)amino]benzoic acid; N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]propanethioamide CAS Name: 4-[(2-amino-1-oxoethyl)amino]benzoic acid; N-[[3-[3-fluoro-4-[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]propanethioamide IUPAC Name: 4-[(2-aminoacetyl)amino]benzoic acid; N-[[3-[3-fluoro-4-[4-(2-hydroxyacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide Traditional Name: N-[[3-[3-fluoro-4-(4-glycoloylpiperazino)phenyl]-2-keto-oxazolidin-5-yl]methyl]thiopropionamide; 4-(glycylamino)benzoic acid Formula: C28H35FN6O7S MolecularWeight: 618.676903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CO)F.C1=CC(=CC=C1C(=O)O)NC(=O)CN

Isomeric SMILES

CCC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CO)F.C1=CC(=CC=C1C(=O)O)NC(=O)CN

InChI

InChI=1S/C19H25FN4O4S.C9H10N2O3/c1-2-17(29)21-10-14-11-24(19(27)28-14)13-3-4-16(15(20)9-13)22-5-7-23(8-6-22)18(26)12-25;10-5-8(12)11-7-3-1-6(2-4-7)9(13)14/h3-4,9,14,25H,2,5-8,10-12H2,1H3,(H,21,29);1-4H,5,10H2,(H,11,12)(H,13,14)