CID 44722641

Carbobenzyloxy-l-isoleucyl-l-phenylalaninamide

Structural Information

Molecular Formula
C23H29N3O4
SMILES
CCC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H29N3O4/c1-3-16(2)20(26-23(29)30-15-18-12-8-5-9-13-18)22(28)25-19(21(24)27)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H2,24,27)(H,25,28)(H,26,29)/t16?,19-,20-/m0/s1
InChIKey
WXGXGPOWUHQDBK-RFFXKOPCSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-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 202.7
[M+Na]+ 434.20504 201.5
[M-H]- 410.20854 207.0
[M+NH4]+ 429.24964 210.5
[M+K]+ 450.17898 199.9
[M+H-H2O]+ 394.21308 192.7
[M+HCOO]- 456.21402 221.8
[M+CH3COO]- 470.22967 232.9
[M+Na-2H]- 432.19049 199.3
[M]+ 411.21527 201.3
[M]- 411.21637 201.3
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.