CID 472708

181038-30-2

Structural Information

Molecular Formula
C34H52N4O6
SMILES
CC(C)[C@@H](C(=O)NCCN(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)OC)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C34H52N4O6/c1-23(2)30(32(41)35-18-19-38(6)7)37-31(40)26(20-25-14-16-27(43-8)17-15-25)22-29(39)28(21-24-12-10-9-11-13-24)36-33(42)44-34(3,4)5/h9-17,23,26,28-30,39H,18-22H2,1-8H3,(H,35,41)(H,36,42)(H,37,40)/t26-,28+,29+,30+/m1/s1
InChIKey
RUHOZTMJVUIXNA-ZRJFKUPHSA-N
Compound name
tert-butyl N-[(2S,3S,5R)-6-[[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

612.3887 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.39598 253.8
[M+Na]+ 635.37792 247.0
[M-H]- 611.38142 257.2
[M+NH4]+ 630.42252 245.0
[M+K]+ 651.35186 249.3
[M+H-H2O]+ 595.38596 243.2
[M+HCOO]- 657.38690 227.7
[M+CH3COO]- 671.40255 277.0
[M+Na-2H]- 633.36337 245.1
[M]+ 612.38815 257.2
[M]- 612.38925 257.2
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.