CID 3001585

Boc-n-f-[psi]-(2s)-f-i-nh-ibu

Structural Information

Molecular Formula
C37H57N6O8P
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)C(CC(=O)N)NC(=O)OC(C)(C)C)OC
InChI
InChI=1S/C37H57N6O8P/c1-9-25(4)32(35(47)39-23-24(2)3)42-34(46)29(20-26-16-12-10-13-17-26)43-52(49,50-8)31(21-27-18-14-11-15-19-27)41-33(45)28(22-30(38)44)40-36(48)51-37(5,6)7/h10-19,24-25,28-29,31-32H,9,20-23H2,1-8H3,(H2,38,44)(H,39,47)(H,40,48)(H,41,45)(H,42,46)(H,43,49)/t25-,28?,29+,31?,32-,52?/m0/s1
InChIKey
FYCXGBMIZRFPHO-PMMRRTFXSA-N
Compound name
tert-butyl N-[4-amino-1-[[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]amino]-1,4-dioxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

744.3975 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.40478 257.2
[M+Na]+ 767.38672 260.5
[M-H]- 743.39022 262.9
[M+NH4]+ 762.43132 247.0
[M+K]+ 783.36066 251.6
[M+H-H2O]+ 727.39476 235.5
[M+HCOO]- 789.39570 219.3
[M+CH3COO]- 803.41135 302.9
[M+Na-2H]- 765.37217 291.9
[M]+ 744.39695 294.9
[M]- 744.39805 294.9
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.