(2S)-2-[[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[isopropyl(methyl)amino]-2-oxo-ethyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[isopropyl(methyl)amino]-2-keto-ethyl]carbamoylamino]-4-(methylthio)butyrate Formula: C12H22N3O4S- MolecularWeight: 304.38578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)CNC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(C)N(C)C(=O)CNC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C12H23N3O4S/c1-8(2)15(3)10(16)7-13-12(19)14-9(11(17)18)5-6-20-4/h8-9H,5-7H2,1-4H3,(H,17,18)(H2,13,14,19)/p-1/t9-/m0/s1