2-(butylsulfonylamino)-3-[5-(diazanylmethylideneamino)-2-methyl-4-oxidanyl-3-phenyl-phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[5-(diazanylmethylideneamino)-2-methyl-4-oxidanyl-3-phenyl-phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[5-(hydrazinomethyleneamino)-4-hydroxy-2-methyl-3-phenyl-phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[5-(hydrazinylmethylideneamino)-4-hydroxy-2-methyl-3-phenylphenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[5-(hydrazinylmethylideneamino)-4-hydroxy-2-methyl-3-phenylphenyl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[5-(hydrazinomethyleneamino)-4-hydroxy-2-methyl-3-phenyl-phenyl]propionic acid Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC(=C(C(=C1C)C2=CC=CC=C2)O)N=CNN)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC(=C(C(=C1C)C2=CC=CC=C2)O)N=CNN)C(=O)O

InChI

InChI=1S/C21H28N4O5S/c1-3-4-10-31(29,30)25-18(21(27)28)12-16-11-17(23-13-24-22)20(26)19(14(16)2)15-8-6-5-7-9-15/h5-9,11,13,18,25-26H,3-4,10,12,22H2,1-2H3,(H,23,24)(H,27,28)