(2S,3R)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-3-methyl-valerate Formula: C11H22N2O3S MolecularWeight: 262.36898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t7-,8+,9+/m1/s1