Chemical Component Summary

NameN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
IdentifiersN'-[(2S,3S,5R)-3-amino-6-[(4-fluorophenyl)amino]-5-methyl-6-oxo-1-phenyl-hexan-2-yl]-N,N-dipropyl-benzene-1,3-dicarboxamide
FormulaC33 H41 F N4 O3
Molecular Weight560.702
TypeNON-POLYMER
Isomeric SMILESCCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N
InChIInChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1
InChIKeyPZHFCAIXAVDQAK-STQWGSIPSA-N

Chemical Details

Formal Charge0
Atom Count82
Chiral Atom Count3
Bond Count84
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL200077
PubChem 5494423
ChEMBL CHEMBL200077