ethyl (6R)-6-[5-(carbamimidoylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanyl-hexanoate

Systemtic Name: ethyl (6R)-6-[5-(carbamimidoylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanyl-hexanoate Openeye Name: ethyl (6R)-6-[5-(carbamimidoylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-hydroxy-hexanoate CAS Name: (6R)-6-[5-[(carbamimidoylthio)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-hydroxyhexanoic acid ethyl ester IUPAC Name: ethyl (6R)-6-[5-(carbamimidoylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-hydroxyhexanoate Traditional Name: (6R)-6-[5-[(amidinothio)methyl]-2-keto-4-imidazolin-4-yl]-6-hydroxy-hexanoic acid ethyl ester Formula: C13H22N4O4S MolecularWeight: 330.40318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C1=C(NC(=O)N1)CSC(=N)N)O

Isomeric SMILES

CCOC(=O)CCCC[C@H](C1=C(NC(=O)N1)CSC(=N)N)O

InChI

InChI=1S/C13H22N4O4S/c1-2-21-10(19)6-4-3-5-9(18)11-8(7-22-12(14)15)16-13(20)17-11/h9,18H,2-7H2,1H3,(H3,14,15)(H2,16,17,20)/t9-/m1/s1