CID 9961556

198016-44-3

Structural Information

Molecular Formula
C38H44N4O8
SMILES
CC(C)(C)OC(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)N3[C@@H](CC4=CC=CC=C43)C(=O)N[C@@H](CCCCNC(=O)OCC5=CC=CC=C5)C(=O)OC
InChI
InChI=1S/C38H44N4O8/c1-38(2,3)50-37(47)42-30-20-11-9-17-27(30)23-32(42)34(44)41-29-19-10-8-16-26(29)22-31(41)33(43)40-28(35(45)48-4)18-12-13-21-39-36(46)49-24-25-14-6-5-7-15-25/h5-11,14-17,19-20,28,31-32H,12-13,18,21-24H2,1-4H3,(H,39,46)(H,40,43)/t28-,31-,32-/m0/s1
InChIKey
GKYGBJABPHBINI-MHDHXZMLSA-N
Compound name
tert-butyl (2S)-2-[(2S)-2-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,3-dihydroindole-1-carbonyl]-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

684.3159 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.32318 255.5
[M+Na]+ 707.30512 259.2
[M+NH4]+ 702.34972 255.4
[M+K]+ 723.27906 261.2
[M-H]- 683.30862 256.2
[M+Na-2H]- 705.29057 255.8
[M]+ 684.31535 255.3
[M]- 684.31645 255.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.