Boc-His(Trt)-Aib-Glu(Otbu)-Gly-OH | CAS No. 1890228-73-5

Boc-His(Trt)-Aib-Glu(Otbu)-Gly-OH

Basic Information

CAS Number

1890228-73-5

Molecular Formula

C45H56N6O9

Molecular Weight

824.98 g/mol

AD

Basic Physical Properties

Boiling Point

1033.0±65.0 °C(Predicted)

Density

1.20±0.1 g/cm3(Predicted)

O=C([C@H](CC1=CN(C=N1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)NC(=O)OC(C)(C)C)NC(C)(C)C(N[C@H](C(NCC(=O)O)=O)CCC(=O)OC(C)(C)C)=O

InChI

1S/C45H56N6O9/c1-42(2,3)59-37(54)25-24-34(38(55)46-27-36(52)53)48-40(57)44(7,8)50-39(56)35(49-41(58)60-43(4,5)6)26-33-28-51(29-47-33)45(30-18-12-9-13-19-30,31-20-14-10-15-21-31)32-22-16-11-17-23-32/h9-23,28-29,34-35H,24-27H2,1-8H3,(H,46,55)(H,48,57)(H,49,58)(H,50,56)(H,52,53)/t34-,35-/m0/s1

InChIKey

OCRJCXTZCKCRBO-PXLJZGITSA-N

LogP

4.861400000000002

pKa

3.30±0.10(Predicted)

Topological Polar Surface Area

207.04999999999995 Ų

Hydrogen Bond Donor/Acceptor

5 / 15

Complexity

1430

Synonyms & References

English

  • Boc-His(Trt)-Aib-Glu(OBtu)-Gly-OH
  • Boc-L-His(Trt)-Aib-Glu(OtBu)-Gly-OH
  • Boc-His(Trt)-Aib-Glu(tBu)-Gly-OH
  • BOC-HIS(TRT)-AIB-GLU(OTBU)-GLY-OH
  • E79905
  • CID 162422656

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