5-[[azanyl(dimethylamino)methylidene]amino]-2-(3-ethanoylsulfanylpropanoylamino)pentanoic acid

Systemtic Name: 5-[[azanyl(dimethylamino)methylidene]amino]-2-(3-ethanoylsulfanylpropanoylamino)pentanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-5-[[amino(dimethylamino)methylene]amino]pentanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-5-[[amino(dimethylamino)methylene]amino]valeric acid Formula: C13H24N4O4S MolecularWeight: 332.41906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NC(CCCN=C(N)N(C)C)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)NC(CCCN=C(N)N(C)C)C(=O)O

InChI

InChI=1S/C13H24N4O4S/c1-9(18)22-8-6-11(19)16-10(12(20)21)5-4-7-15-13(14)17(2)3/h10H,4-8H2,1-3H3,(H2,14,15)(H,16,19)(H,20,21)