(3S)-3-(naphthalen-1-ylsulfonylamino)-4-oxidanylidene-4-(phenethylamino)butanoic acid

Systemtic Name: (3S)-3-(naphthalen-1-ylsulfonylamino)-4-oxidanylidene-4-(phenethylamino)butanoic acid Openeye Name: (3S)-3-(1-naphthylsulfonylamino)-4-oxo-4-(phenethylamino)butanoic acid CAS Name: (3S)-3-(1-naphthalenylsulfonylamino)-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: (3S)-3-(naphthalen-1-ylsulfonylamino)-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: (3S)-4-keto-3-(1-naphthylsulfonylamino)-4-(phenethylamino)butyric acid Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CC(=O)O)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O5S/c25-21(26)15-19(22(27)23-14-13-16-7-2-1-3-8-16)24-30(28,29)20-12-6-10-17-9-4-5-11-18(17)20/h1-12,19,24H,13-15H2,(H,23,27)(H,25,26)/t19-/m0/s1