4-(2-azanylpropanoylamino)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-azanylpropanoylamino)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-aminopropanoylamino)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-oxopropyl)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-aminopropanoylamino)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: 4-(alanylamino)benzoic acid; N-[[3-[3-fluoro-4-(4-glycoloylpiperazino)phenyl]-2-keto-oxazolidin-5-yl]methyl]thiopropionamide Formula: C29H37FN6O7S MolecularWeight: 632.703483

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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.CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N

Isomeric SMILES

CCC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CO)F.CC(C(=O)NC1=CC=C(C=C1)C(=O)O)N

InChI

InChI=1S/C19H25FN4O4S.C10H12N2O3/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;1-6(11)9(13)12-8-4-2-7(3-5-8)10(14)15/h3-4,9,14,25H,2,5-8,10-12H2,1H3,(H,21,29);2-6H,11H2,1H3,(H,12,13)(H,14,15)