(2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]-4-(methylthio)butyrate Formula: C11H22N2O3S MolecularWeight: 262.36898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)[O-])[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H22N2O3S/c1-4-7(2)9(12)10(14)13-8(11(15)16)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1