2-sulfooxyethyl 5-azanyl-2-ethyl-2,4-dimethyl-4-[4-methyl-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 2-sulfooxyethyl 5-azanyl-2-ethyl-2,4-dimethyl-4-[4-methyl-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-5-oxidanylidene-pentanoate Openeye Name: 2-sulfooxyethyl 5-amino-2-ethyl-2,4-dimethyl-4-(4-methyl-2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-5-oxo-pentanoate CAS Name: 5-amino-2-ethyl-2,4-dimethyl-4-(4-methyl-2,5-dioxo-1-phenyl-3-pyrrolidinyl)-5-oxopentanoic acid 2-sulfooxyethyl ester IUPAC Name: 2-sulfooxyethyl 5-amino-2-ethyl-2,4-dimethyl-4-(4-methyl-2,5-dioxo-1-phenylpyrrolidin-3-yl)-5-oxopentanoate Traditional Name: 5-amino-4-(2,5-diketo-4-methyl-1-phenyl-pyrrolidin-3-yl)-2-ethyl-5-keto-2,4-dimethyl-valeric acid 2-sulfoxyethyl ester Formula: C22H30N2O9S MolecularWeight: 498.5466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C1C(C(=O)N(C1=O)C2=CC=CC=C2)C)C(=O)N)C(=O)OCCOS(=O)(=O)O

Isomeric SMILES

CCC(C)(CC(C)(C1C(C(=O)N(C1=O)C2=CC=CC=C2)C)C(=O)N)C(=O)OCCOS(=O)(=O)O

InChI

InChI=1S/C22H30N2O9S/c1-5-21(3,20(28)32-11-12-33-34(29,30)31)13-22(4,19(23)27)16-14(2)17(25)24(18(16)26)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3,(H2,23,27)(H,29,30,31)