4-(butan-2-ylamino)-3-(3-methylbutylsulfanylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(butan-2-ylamino)-3-(3-methylbutylsulfanylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-(isopentylsulfanylmethyl)-4-oxo-4-(sec-butylamino)butanoic acid CAS Name: 4-(butan-2-ylamino)-3-[(3-methylbutylthio)methyl]-4-oxobutanoic acid IUPAC Name: 4-(butan-2-ylamino)-3-(3-methylbutylsulfanylmethyl)-4-oxobutanoic acid Traditional Name: 3-[(isoamylthio)methyl]-4-keto-4-(sec-butylamino)butyric acid Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(CC(=O)O)CSCCC(C)C

Isomeric SMILES

CCC(C)NC(=O)C(CC(=O)O)CSCCC(C)C

InChI

InChI=1S/C14H27NO3S/c1-5-11(4)15-14(18)12(8-13(16)17)9-19-7-6-10(2)3/h10-12H,5-9H2,1-4H3,(H,15,18)(H,16,17)