2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[[(2S)-2-ammonio-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[[(2S)-2-ammonio-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]acetate Formula: C13H25N3O4S MolecularWeight: 319.4203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O4S/c1-8(2)6-10(13(20)15-7-11(17)18)16-12(19)9(14)4-5-21-3/h8-10H,4-7,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)/t9-,10-/m0/s1