2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-ethoxy-3-[4-[(4-methylsulfonyloxyphenyl)methylamino]phenyl]propanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-ethoxy-3-[4-[(4-methylsulfonyloxyphenyl)methylamino]phenyl]propanoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-ethoxy-3-[4-[(4-methylsulfonyloxyphenyl)methylamino]phenyl]propanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-ethoxy-3-[4-[(4-methylsulfonyloxyphenyl)methylamino]phenyl]propanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-ethoxy-3-[4-[(4-methylsulfonyloxyphenyl)methylamino]phenyl]propanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 2-ethoxy-3-[4-[(4-methylsulfonyloxybenzyl)amino]phenyl]propionic acid Formula: C25H37N5O8S MolecularWeight: 567.65498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)NCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)NCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C19H23NO6S.C6H14N4O2/c1-3-25-18(19(21)22)12-14-4-8-16(9-5-14)20-13-15-6-10-17(11-7-15)26-27(2,23)24;7-4(5(11)12)2-1-3-10-6(8)9/h4-11,18,20H,3,12-13H2,1-2H3,(H,21,22);4H,1-3,7H2,(H,11,12)(H4,8,9,10)