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3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE


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Chemical Component Summary

Name3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE
Identifiers[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]-5-(methyl-methylsulfonyl-amino)phenyl]methyl (2R)-2-amino-2-methyl-3-phenyl-propanoate
FormulaC28 H32 F N3 O5 S
Molecular Weight541.634
TypeNON-POLYMER
Isomeric SMILESC[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N
InChIInChI=1S/C28H32FN3O5S/c1-19(22-10-12-24(29)13-11-22)31-26(33)23-14-21(15-25(16-23)32(3)38(4,35)36)18-37-27(34)28(2,30)17-20-8-6-5-7-9-20/h5-16,19H,17-18,30H2,1-4H3,(H,31,33)/t19-,28-/m1/s1
InChIKeyPTQRJCCBUDSHTQ-WHLCRQNOSA-N

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count2
Bond Count72
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL218451
PubChem 16094313
ChEMBL CHEMBL218451