4-carbamimidoylbenzamide; 2-[2-carboxy-1-[3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidin-2-yl]ethanoate

Systemtic Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidin-2-yl]ethanoate Openeye Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[2-(isopropylsulfamoylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]acetate CAS Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[1-oxo-3-phenyl-2-(propan-2-ylsulfamoylamino)propyl]-2-pyrrolidinyl]acetate IUPAC Name: 4-carbamimidoylbenzamide; 2-[2-carboxy-1-[3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidin-2-yl]acetate Traditional Name: 4-amidinobenzamide; 2-[2-carboxy-1-[2-(isopropylsulfamoylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]acetate Formula: C27H35N6O8S- MolecularWeight: 603.6672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2(CC(=O)[O-])C(=O)O.C1=CC(=CC=C1C(=N)N)C(=O)N

Isomeric SMILES

CC(C)NS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2(CC(=O)[O-])C(=O)O.C1=CC(=CC=C1C(=N)N)C(=O)N

InChI

InChI=1S/C19H27N3O7S.C8H9N3O/c1-13(2)20-30(28,29)21-15(11-14-7-4-3-5-8-14)17(25)22-10-6-9-19(22,18(26)27)12-16(23)24;9-7(10)5-1-3-6(4-2-5)8(11)12/h3-5,7-8,13,15,20-21H,6,9-12H2,1-2H3,(H,23,24)(H,26,27);1-4H,(H3,9,10)(H2,11,12)/p-1