5-(3-morpholin-4-ium-4-ylpropylamino)-5-oxidanylidene-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

Systemtic Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-5-oxidanylidene-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid Openeye Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid CAS Name: 5-[3-(4-morpholin-4-iumyl)propylamino]-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid IUPAC Name: 5-(3-morpholin-4-ium-4-ylpropylamino)-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid Traditional Name: 5-keto-5-(3-morpholin-4-ium-4-ylpropylamino)-2-[(4-phenylphenyl)sulfonylamino]valeric acid Formula: C24H32N3O6S+ MolecularWeight: 490.59238

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O6S/c28-23(25-13-4-14-27-15-17-33-18-16-27)12-11-22(24(29)30)26-34(31,32)21-9-7-20(8-10-21)19-5-2-1-3-6-19/h1-3,5-10,22,26H,4,11-18H2,(H,25,28)(H,29,30)/p+1