U77

N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine



Chemical Component Summary

NameN-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
Identifiers3-[[2-[furan-2-ylmethyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]-(2-phenylethyl)amino]propanoic acid
FormulaC26 H31 N3 O6 S
Molecular Weight513.606
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3
InChIInChI=1S/C26H31N3O6S/c27-36(33,34)24-10-8-22(9-11-24)13-17-29(19-23-7-4-18-35-23)25(30)20-28(16-14-26(31)32)15-12-21-5-2-1-3-6-21/h1-11,18H,12-17,19-20H2,(H,31,32)(H2,27,33,34)
InChIKeyVOLPYGCWCBVKEI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count0
Bond Count69
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 146171282