4-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]pentanoic acid; pyrrolidine-1-carboxamide

Systemtic Name: 4-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]pentanoic acid; pyrrolidine-1-carboxamide Openeye Name: 4-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]pentanoic acid; pyrrolidine-1-carboxamide CAS Name: 4-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]pentanoic acid; 1-pyrrolidinecarboxamide IUPAC Name: 4-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]pentanoic acid; pyrrolidine-1-carboxamide Traditional Name: 4-methyl-2-[[4-[(2-methyl-2,3-dihydrobenzimidazol-1-yl)methyl]phenyl]sulfonylamino]valeric acid; pyrrolidine-1-carboxamide Formula: C26H37N5O5S MolecularWeight: 531.66748

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CC(C)C)C(=O)O.C1CCN(C1)C(=O)N

Isomeric SMILES

CC1NC2=CC=CC=C2N1CC3=CC=C(C=C3)S(=O)(=O)NC(CC(C)C)C(=O)O.C1CCN(C1)C(=O)N

InChI

InChI=1S/C21H27N3O4S.C5H10N2O/c1-14(2)12-19(21(25)26)23-29(27,28)17-10-8-16(9-11-17)13-24-15(3)22-18-6-4-5-7-20(18)24;6-5(8)7-3-1-2-4-7/h4-11,14-15,19,22-23H,12-13H2,1-3H3,(H,25,26);1-4H2,(H2,6,8)