(2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-(2-dimethylaminoethylamino)-4-keto-butanoyl]amino]-4-(methylthio)butyric acid Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CCC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN(C)CCNC(=O)CCC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C13H25N3O4S/c1-16(2)8-7-14-11(17)4-5-12(18)15-10(13(19)20)6-9-21-3/h10H,4-9H2,1-3H3,(H,14,17)(H,15,18)(H,19,20)/t10-/m0/s1