CID 461988

Bdbm204

Structural Information

Molecular Formula
C35H59N5O9
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)OCCOC)O)NC(=O)OCCOC
InChI
InChI=1S/C35H59N5O9/c1-24(2)30(37-34(44)48-19-17-46-5)32(42)36-28(21-26-13-9-7-10-14-26)29(41)23-40(22-27-15-11-8-12-16-27)39-33(43)31(25(3)4)38-35(45)49-20-18-47-6/h7,9-10,13-14,24-25,27-31,41H,8,11-12,15-23H2,1-6H3,(H,36,42)(H,37,44)(H,38,45)(H,39,43)/t28-,29-,30-,31-/m0/s1
InChIKey
XEBVQLCYEMXQLM-ORYMTKCHSA-N
Compound name
2-methoxyethyl N-[(2S)-1-[2-(cyclohexylmethyl)-2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(2-methoxyethoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

693.4313 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.43858 254.3
[M+Na]+ 716.42052 271.7
[M-H]- 692.42402 269.1
[M+NH4]+ 711.46512 269.7
[M+K]+ 732.39446 264.4
[M+H-H2O]+ 676.42856 259.1
[M+HCOO]- 738.42950 243.0
[M+CH3COO]- 752.44515 291.0
[M+Na-2H]- 714.40597 245.7
[M]+ 693.43075 245.6
[M]- 693.43185 245.6
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.