benzene; 3-[methylsulfonylmethyl-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)amino]-2-oxidanylidene-pentanoic acid

Systemtic Name: benzene; 3-[methylsulfonylmethyl-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)amino]-2-oxidanylidene-pentanoic acid Openeye Name: benzene; 3-[methylsulfonylmethyl-(4-morpholino-4-oxo-butanoyl)amino]-2-oxo-pentanoic acid CAS Name: benzene; 3-[methylsulfonylmethyl-[4-(4-morpholinyl)-1,4-dioxobutyl]amino]-2-oxopentanoic acid IUPAC Name: benzene; 3-[methylsulfonylmethyl-(4-morpholin-4-yl-4-oxobutanoyl)amino]-2-oxopentanoic acid Traditional Name: benzene; 2-keto-3-[(4-keto-4-morpholino-butanoyl)-(mesylmethyl)amino]valeric acid Formula: C21H30N2O8S MolecularWeight: 470.5365

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)O)N(CS(=O)(=O)C)C(=O)CCC(=O)N1CCOCC1.C1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)C(=O)O)N(CS(=O)(=O)C)C(=O)CCC(=O)N1CCOCC1.C1=CC=CC=C1

InChI

InChI=1S/C15H24N2O8S.C6H6/c1-3-11(14(20)15(21)22)17(10-26(2,23)24)13(19)5-4-12(18)16-6-8-25-9-7-16;1-2-4-6-5-3-1/h11H,3-10H2,1-2H3,(H,21,22);1-6H