CID 73974018

69193-12-0

Structural Information

Molecular Formula
C23H29N3O4
SMILES
CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H29N3O4/c1-3-16(2)20(21(24)27)26-22(28)19(14-17-10-6-4-7-11-17)25-23(29)30-15-18-12-8-5-9-13-18/h4-13,16,19-20H,3,14-15H2,1-2H3,(H2,24,27)(H,25,29)(H,26,28)/t16-,19-,20-/m0/s1
InChIKey
FWDPWEKTTXOMLS-VDGAXYAQSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.21582 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.22310 201.4
[M+Na]+ 434.20504 207.2
[M+NH4]+ 429.24964 204.7
[M+K]+ 450.17898 203.7
[M-H]- 410.20854 203.5
[M+Na-2H]- 432.19049 205.0
[M]+ 411.21527 202.1
[M]- 411.21637 202.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.