2-[[2-azanyl-5-[[azanyl(dimethylamino)methylidene]amino]pentanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[2-azanyl-5-[[azanyl(dimethylamino)methylidene]amino]pentanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[2-amino-5-[[amino(dimethylamino)methylene]amino]pentanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: 2-[[2-amino-5-[[amino(dimethylamino)methylidene]amino]-1-oxopentyl]amino]-4-mercaptobutanoic acid IUPAC Name: 2-[[2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: 2-[[2-amino-5-[[amino(dimethylamino)methylene]amino]pentanoyl]amino]-4-mercapto-butyric acid Formula: C12H25N5O3S MolecularWeight: 319.4236

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NCCCC(C(=O)NC(CCS)C(=O)O)N)N

Isomeric SMILES

CN(C)C(=NCCCC(C(=O)NC(CCS)C(=O)O)N)N

InChI

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