2-(3-imidazol-1-ylhexanoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-(3-imidazol-1-ylhexanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2-(3-imidazol-1-ylhexanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(1-imidazolyl)-1-oxohexyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-(3-imidazol-1-ylhexanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2-(3-imidazol-1-ylhexanoylamino)-4-(methylthio)butyric acid Formula: C14H23N3O3S MolecularWeight: 313.41572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)NC(CCSC)C(=O)O)N1C=CN=C1

Isomeric SMILES

CCCC(CC(=O)NC(CCSC)C(=O)O)N1C=CN=C1

InChI

InChI=1S/C14H23N3O3S/c1-3-4-11(17-7-6-15-10-17)9-13(18)16-12(14(19)20)5-8-21-2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,16,18)(H,19,20)