4-oxidanylidene-4-[[3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)-1H-indol-6-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[3-(2-oxidanyl-2-oxidanylidene-1-thiomorpholin-4-yl-ethyl)-1H-indol-6-yl]amino]butanoic acid Openeye Name: 4-[[3-(2-hydroxy-2-oxo-1-thiomorpholino-ethyl)-1H-indol-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1H-indol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(2-hydroxy-2-oxo-1-thiomorpholin-4-ylethyl)-1H-indol-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-(2-hydroxy-2-keto-1-thiomorpholino-ethyl)-1H-indol-6-yl]amino]-4-keto-butyric acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1CSCCN1C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H21N3O5S/c22-15(3-4-16(23)24)20-11-1-2-12-13(10-19-14(12)9-11)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)