CID 134158088

Chembl3988903

Structural Information

Molecular Formula
C18H26N2O5
SMILES
CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C=O)O)NC(=O)OC
InChI
InChI=1S/C18H26N2O5/c1-18(2,3)15(20-17(24)25-4)16(23)19-13(14(22)11-21)10-12-8-6-5-7-9-12/h5-9,11,13-15,22H,10H2,1-4H3,(H,19,23)(H,20,24)/t13-,14-,15+/m0/s1
InChIKey
DFSGZTKGZSLNEC-SOUVJXGZSA-N
Compound name
methyl N-[(2S)-1-[[(2S,3R)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.18417 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.19145 183.3
[M+Na]+ 373.17339 187.9
[M+NH4]+ 368.21799 185.9
[M+K]+ 389.14733 186.8
[M-H]- 349.17689 181.1
[M+Na-2H]- 371.15884 184.1
[M]+ 350.18362 182.6
[M]- 350.18472 182.6
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.