(3S)-4-oxidanylidene-4-(phenethylamino)-3-(phenylsulfonylamino)butanoic acid

Systemtic Name: (3S)-4-oxidanylidene-4-(phenethylamino)-3-(phenylsulfonylamino)butanoic acid Openeye Name: (3S)-3-(benzenesulfonamido)-4-oxo-4-(phenethylamino)butanoic acid CAS Name: (3S)-3-(benzenesulfonamido)-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: (3S)-3-(benzenesulfonamido)-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: (3S)-3-(benzenesulfonamido)-4-keto-4-(phenethylamino)butyric acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c21-17(22)13-16(20-26(24,25)15-9-5-2-6-10-15)18(23)19-12-11-14-7-3-1-4-8-14/h1-10,16,20H,11-13H2,(H,19,23)(H,21,22)/t16-/m0/s1