5-[bis(azanyl)methylideneamino]-2-[(4-sulfamoylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(4-sulfamoylphenyl)carbonylamino]pentanoic acid Openeye Name: 5-guanidino-2-[(4-sulfamoylbenzoyl)amino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[oxo-(4-sulfamoylphenyl)methyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(4-sulfamoylbenzoyl)amino]pentanoic acid Traditional Name: 5-guanidino-2-[(4-sulfamoylbenzoyl)amino]valeric acid Formula: C13H19N5O5S MolecularWeight: 357.38546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCCN=C(N)N)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCCN=C(N)N)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C13H19N5O5S/c14-13(15)17-7-1-2-10(12(20)21)18-11(19)8-3-5-9(6-4-8)24(16,22)23/h3-6,10H,1-2,7H2,(H,18,19)(H,20,21)(H4,14,15,17)(H2,16,22,23)