5-[bis(azanyl)methylideneamino]-2-[2-methylbutan-2-yloxycarbonyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-methylbutan-2-yloxycarbonyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid Openeye Name: 2-[1,1-dimethylpropoxycarbonyl(p-tolylsulfonyl)amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[2-methylbutan-2-yloxy(oxo)methyl]-(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[2-methylbutan-2-yloxycarbonyl-(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: 2-[tert-amyloxycarbonyl(tosyl)amino]-5-guanidino-valeric acid Formula: C19H30N4O6S MolecularWeight: 442.5297

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)N(C(CCCN=C(N)N)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(C)(C)OC(=O)N(C(CCCN=C(N)N)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H30N4O6S/c1-5-19(3,4)29-18(26)23(15(16(24)25)7-6-12-22-17(20)21)30(27,28)14-10-8-13(2)9-11-14/h8-11,15H,5-7,12H2,1-4H3,(H,24,25)(H4,20,21,22)