CID 467268

Cbz-phe-psi[p(ome)o-n]-(2s)-ile-nh-ibu

Structural Information

Molecular Formula
C36H49N4O6P
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NP(=O)(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C36H49N4O6P/c1-6-27(4)33(35(42)37-24-26(2)3)39-34(41)31(22-28-16-10-7-11-17-28)40-47(44,45-5)32(23-29-18-12-8-13-19-29)38-36(43)46-25-30-20-14-9-15-21-30/h7-21,26-27,31-33H,6,22-25H2,1-5H3,(H,37,42)(H,38,43)(H,39,41)(H,40,44)/t27-,31+,32?,33-,47?/m0/s1
InChIKey
GILZPHWRHZGHKY-UYEXSECNSA-N
Compound name
benzyl N-[1-[methoxy-[[(2R)-1-[[(2S,3S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]phosphoryl]-2-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

664.339 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.34628 260.9
[M+Na]+ 687.32822 252.2
[M-H]- 663.33172 265.4
[M+NH4]+ 682.37282 257.4
[M+K]+ 703.30216 253.2
[M+H-H2O]+ 647.33626 246.3
[M+HCOO]- 709.33720 279.9
[M+CH3COO]- 723.35285 282.8
[M+Na-2H]- 685.31367 252.6
[M]+ 664.33845 262.1
[M]- 664.33955 262.1
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.