3-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-4-oxidanylidene-pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[[4-morpholin-4-yl-4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]butanoyl]amino]-4-oxidanylidene-pyrrolidine-1-carboxylic acid Openeye Name: 3-[[2-(benzylsulfonylmethyl)-4-morpholino-4-oxo-butanoyl]amino]-4-oxo-pyrrolidine-1-carboxylic acid CAS Name: 3-[[4-(4-morpholinyl)-1,4-dioxo-2-[(phenylmethyl)sulfonylmethyl]butyl]amino]-4-oxo-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[[2-(benzylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-4-oxopyrrolidine-1-carboxylic acid Traditional Name: 3-[[2-(benzylsulfonylmethyl)-4-keto-4-morpholino-butanoyl]amino]-4-keto-pyrrolidine-1-carboxylic acid Formula: C21H27N3O8S MolecularWeight: 481.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CN(CC3=O)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CN(CC3=O)C(=O)O

InChI

InChI=1S/C21H27N3O8S/c25-18-12-24(21(28)29)11-17(18)22-20(27)16(10-19(26)23-6-8-32-9-7-23)14-33(30,31)13-15-4-2-1-3-5-15/h1-5,16-17H,6-14H2,(H,22,27)(H,28,29)