5-[bis(azanyl)methylideneamino]-2-[ethoxycarbonyl(2-sulfanylideneethoxy)amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[ethoxycarbonyl(2-sulfanylideneethoxy)amino]pentanoic acid Openeye Name: 2-[ethoxycarbonyl(2-thioxoethoxy)amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[ethoxycarbonyl(2-sulfanylideneethoxy)amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[ethoxycarbonyl(2-sulfanylideneethoxy)amino]pentanoic acid Traditional Name: 2-[carbethoxy(2-thioxoethoxy)amino]-5-guanidino-valeric acid Formula: C11H20N4O5S MolecularWeight: 320.3653

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C(CCCN=C(N)N)C(=O)O)OCC=S

Isomeric SMILES

CCOC(=O)N(C(CCCN=C(N)N)C(=O)O)OCC=S

InChI

InChI=1S/C11H20N4O5S/c1-2-19-11(18)15(20-6-7-21)8(9(16)17)4-3-5-14-10(12)13/h7-8H,2-6H2,1H3,(H,16,17)(H4,12,13,14)