(2S)-2-azaniumyl-6-[[3-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: (2S)-2-azaniumyl-6-[[3-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-sulfanyl-prop-1-en-2-yl]amino]-6-oxidanylidene-hexanoate Openeye Name: (2S)-2-azaniumyl-6-[[1-[[(1R)-1-carboxy-2-methyl-propyl]carbamoyl]-2-sulfanyl-vinyl]amino]-6-oxo-hexanoate CAS Name: (2S)-2-ammonio-6-[[3-[[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-mercapto-3-oxoprop-1-en-2-yl]amino]-6-oxohexanoate IUPAC Name: (2S)-2-azaniumyl-6-[[3-[[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-3-oxo-1-sulfanylprop-1-en-2-yl]amino]-6-oxohexanoate Traditional Name: (2S)-2-ammonio-6-[[1-[[(1R)-1-carboxy-2-methyl-propyl]carbamoyl]-2-mercapto-vinyl]amino]-6-keto-hexanoate Formula: C14H23N3O6S MolecularWeight: 361.41392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(=CS)NC(=O)CCCC(C(=O)[O-])[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h6-8,11,24H,3-5,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,11+/m0/s1