4-[[4-(4-methoxy-2-oxidanyl-butyl)sulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(4-methoxy-2-oxidanyl-butyl)sulfanyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(2-hydroxy-4-methoxy-butyl)sulfanyl-1-(phenylcarbamoyl)propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-anilino-4-[(2-hydroxy-4-methoxybutyl)thio]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-anilino-4-(2-hydroxy-4-methoxybutyl)sulfanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[(2-hydroxy-4-methoxy-butyl)thio]-1-(phenylcarbamoyl)propyl]amino]-4-keto-butyric acid Formula: C19H28N2O6S MolecularWeight: 412.50042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC(CSCCC(C(=O)NC1=CC=CC=C1)NC(=O)CCC(=O)O)O

Isomeric SMILES

COCCC(CSCCC(C(=O)NC1=CC=CC=C1)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C19H28N2O6S/c1-27-11-9-15(22)13-28-12-10-16(21-17(23)7-8-18(24)25)19(26)20-14-5-3-2-4-6-14/h2-6,15-16,22H,7-13H2,1H3,(H,20,26)(H,21,23)(H,24,25)