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

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid Openeye Name: 5-guanidino-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[[(4-sulfamoylphenyl)methylamino]-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(4-sulfamoylphenyl)methylcarbamothioylamino]pentanoic acid Traditional Name: 5-guanidino-2-[(4-sulfamoylbenzyl)thiocarbamoylamino]valeric acid Formula: C14H22N6O4S2 MolecularWeight: 402.49228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC(CCCN=C(N)N)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC(CCCN=C(N)N)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C14H22N6O4S2/c15-13(16)18-7-1-2-11(12(21)22)20-14(25)19-8-9-3-5-10(6-4-9)26(17,23)24/h3-6,11H,1-2,7-8H2,(H,21,22)(H4,15,16,18)(H2,17,23,24)(H2,19,20,25)