2-azanyl-3-[4-oxidanyl-2-(phenazin-2-ylsulfanylcarbamoylamino)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-oxidanyl-2-(phenazin-2-ylsulfanylcarbamoylamino)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-hydroxy-2-(phenazin-2-ylsulfanylcarbamoylamino)phenyl]propanoic acid CAS Name: 2-amino-3-[4-hydroxy-2-[[oxo-[(2-phenazinylthio)amino]methyl]amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-hydroxy-2-(phenazin-2-ylsulfanylcarbamoylamino)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-hydroxy-2-[(phenazin-2-ylthio)carbamoylamino]phenyl]propionic acid Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)SNC(=O)NC4=C(C=CC(=C4)O)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C=CC(=CC3=N2)SNC(=O)NC4=C(C=CC(=C4)O)CC(C(=O)O)N

InChI

InChI=1S/C22H19N5O4S/c23-15(21(29)30)9-12-5-6-13(28)10-19(12)26-22(31)27-32-14-7-8-18-20(11-14)25-17-4-2-1-3-16(17)24-18/h1-8,10-11,15,28H,9,23H2,(H,29,30)(H2,26,27,31)