4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-5-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-(4-thiomorpholin-4-iumyl)ethyl]-1H-indol-5-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-2-oxido-2-oxo-1-thiomorpholin-4-ium-4-ylethyl]-1H-indol-5-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-[(1S)-2-keto-2-oxido-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-5-yl]amino]butyrate Formula: C18H20N3O5S- MolecularWeight: 390.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1[C@@H](C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c22-15(3-4-16(23)24)20-11-1-2-14-12(9-11)13(10-19-14)17(18(25)26)21-5-7-27-8-6-21/h1-2,9-10,17,19H,3-8H2,(H,20,22)(H,23,24)(H,25,26)/p-1/t17-/m0/s1