3-[4-[[3-[3-[[bis(azanyl)methylideneamino]methyl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]-2-(butylsulfonylamino)propanoic acid

Systemtic Name: 3-[4-[[3-[3-[[bis(azanyl)methylideneamino]methyl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]phenyl]-2-(butylsulfonylamino)propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[4-[[3-[3-(guanidinomethyl)phenyl]-2-oxo-oxazolidin-5-yl]methoxy]phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[4-[[3-[3-[(diaminomethylideneamino)methyl]phenyl]-2-oxo-5-oxazolidinyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[4-[[3-[3-[(diaminomethylideneamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenyl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[4-[[3-[3-(guanidinomethyl)phenyl]-2-keto-oxazolidin-5-yl]methoxy]phenyl]propionic acid Formula: C25H33N5O7S MolecularWeight: 547.62382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C3=CC=CC(=C3)CN=C(N)N)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCC2CN(C(=O)O2)C3=CC=CC(=C3)CN=C(N)N)C(=O)O

InChI

InChI=1S/C25H33N5O7S/c1-2-3-11-38(34,35)29-22(23(31)32)13-17-7-9-20(10-8-17)36-16-21-15-30(25(33)37-21)19-6-4-5-18(12-19)14-28-24(26)27/h4-10,12,21-22,29H,2-3,11,13-16H2,1H3,(H,31,32)(H4,26,27,28)