Chemical Component Summary

NameN-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE
IdentifiersN-[(2S,3R)-4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]-3-hydroxy-1-phenyl-butan-2-yl]-N'-methyl-butanediamide
FormulaC26 H35 N3 O6 S
Molecular Weight517.638
TypeNON-POLYMER
Isomeric SMILESCNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O
InChIInChI=1S/C26H35N3O6S/c1-27-25(31)13-14-26(32)28-23(15-19-7-4-3-5-8-19)24(30)18-29(17-20-11-12-20)36(33,34)22-10-6-9-21(16-22)35-2/h3-10,16,20,23-24,30H,11-15,17-18H2,1-2H3,(H,27,31)(H,28,32)/t23-,24+/m0/s1
InChIKeyXCGCXCBWFPNYSI-BJKOFHAPSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count2
Bond Count73
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 15947593
ChEMBL CHEMBL515826