4-azanyl-7-[bis(azanyl)methylideneamino]-2-(2-ethylsulfanylethylamino)-3-oxidanylidene-heptanoic acid

Systemtic Name: 4-azanyl-7-[bis(azanyl)methylideneamino]-2-(2-ethylsulfanylethylamino)-3-oxidanylidene-heptanoic acid Openeye Name: 4-amino-2-(2-ethylsulfanylethylamino)-7-guanidino-3-oxo-heptanoic acid CAS Name: 4-amino-7-(diaminomethylideneamino)-2-[2-(ethylthio)ethylamino]-3-oxoheptanoic acid IUPAC Name: 4-amino-7-(diaminomethylideneamino)-2-(2-ethylsulfanylethylamino)-3-oxoheptanoic acid Traditional Name: 4-amino-2-[2-(ethylthio)ethylamino]-7-guanidino-3-keto-enanthic acid Formula: C12H25N5O3S MolecularWeight: 319.4236

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(C(=O)C(CCCN=C(N)N)N)C(=O)O

Isomeric SMILES

CCSCCNC(C(=O)C(CCCN=C(N)N)N)C(=O)O

InChI

InChI=1S/C12H25N5O3S/c1-2-21-7-6-16-9(11(19)20)10(18)8(13)4-3-5-17-12(14)15/h8-9,16H,2-7,13H2,1H3,(H,19,20)(H4,14,15,17)