2-azanyl-5-[bis(azanyl)methylideneamino]-2-(4-methoxyphenyl)sulfonyl-pentanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-2-(4-methoxyphenyl)sulfonyl-pentanoic acid Openeye Name: 2-amino-5-guanidino-2-(4-methoxyphenyl)sulfonyl-pentanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)-2-(4-methoxyphenyl)sulfonylpentanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)-2-(4-methoxyphenyl)sulfonylpentanoic acid Traditional Name: 2-amino-5-guanidino-2-(4-methoxyphenyl)sulfonyl-valeric acid Formula: C13H20N4O5S MolecularWeight: 344.3867

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CCCN=C(N)N)(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CCCN=C(N)N)(C(=O)O)N

InChI

InChI=1S/C13H20N4O5S/c1-22-9-3-5-10(6-4-9)23(20,21)13(16,11(18)19)7-2-8-17-12(14)15/h3-6H,2,7-8,16H2,1H3,(H,18,19)(H4,14,15,17)