2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-methyl-2-[4-[3-(3-methylsulfonyloxyphenoxy)propyl]phenoxy]propanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-methyl-2-[4-[3-(3-methylsulfonyloxyphenoxy)propyl]phenoxy]propanoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-methyl-2-[4-[3-(3-methylsulfonyloxyphenoxy)propyl]phenoxy]propanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-methyl-2-[4-[3-(3-methylsulfonyloxyphenoxy)propyl]phenoxy]propanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-methyl-2-[4-[3-(3-methylsulfonyloxyphenoxy)propyl]phenoxy]propanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 2-methyl-2-[4-[3-(3-methylsulfonyloxyphenoxy)propyl]phenoxy]propionic acid Formula: C26H38N4O9S MolecularWeight: 582.66632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCOC2=CC(=CC=C2)OS(=O)(=O)C.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)CCCOC2=CC(=CC=C2)OS(=O)(=O)C.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C20H24O7S.C6H14N4O2/c1-20(2,19(21)22)26-16-11-9-15(10-12-16)6-5-13-25-17-7-4-8-18(14-17)27-28(3,23)24;7-4(5(11)12)2-1-3-10-6(8)9/h4,7-12,14H,5-6,13H2,1-3H3,(H,21,22);4H,1-3,7H2,(H,11,12)(H4,8,9,10)