2-[[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-heptan-2-yl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-heptan-2-yl]sulfamoyl]ethanoic acid Openeye Name: 2-[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]hexylsulfamoyl]acetic acid CAS Name: 2-[[1-[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxoheptan-2-yl]sulfamoyl]acetic acid IUPAC Name: 2-[[1-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-oxoheptan-2-yl]sulfamoyl]acetic acid Traditional Name: 2-[1-[2-[(4-amidinobenzyl)carbamoyl]pyrrolidine-1-carbonyl]hexylsulfamoyl]acetic acid Formula: C22H33N5O6S MolecularWeight: 495.59232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC(=O)O

Isomeric SMILES

CCCCCC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CC(=O)O

InChI

InChI=1S/C22H33N5O6S/c1-2-3-4-6-17(26-34(32,33)14-19(28)29)22(31)27-12-5-7-18(27)21(30)25-13-15-8-10-16(11-9-15)20(23)24/h8-11,17-18,26H,2-7,12-14H2,1H3,(H3,23,24)(H,25,30)(H,28,29)