CID 452253

Bzoc(decoohphe)p(o)(oh)cyhexcovvnh2

Structural Information

Molecular Formula
C33H47N4O7P
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1CCCCC1P(=O)(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O
InChI
InChI=1S/C33H47N4O7P/c1-21(2)28(30(34)38)36-32(40)29(22(3)4)37-31(39)25-17-11-12-18-26(25)45(42,43)27(19-23-13-7-5-8-14-23)35-33(41)44-20-24-15-9-6-10-16-24/h5-10,13-16,21-22,25-29H,11-12,17-20H2,1-4H3,(H2,34,38)(H,35,41)(H,36,40)(H,37,39)(H,42,43)/t25?,26?,27?,28-,29-/m0/s1
InChIKey
LNZJAJSPGAUMHO-VVYVRQOISA-N
Compound name
[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

642.31824 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.32552 247.1
[M+Na]+ 665.30746 237.5
[M-H]- 641.31096 249.6
[M+NH4]+ 660.35206 243.7
[M+K]+ 681.28140 240.0
[M+H-H2O]+ 625.31550 234.7
[M+HCOO]- 687.31644 260.6
[M+CH3COO]- 701.33209 277.9
[M+Na-2H]- 663.29291 235.6
[M]+ 642.31769 241.5
[M]- 642.31879 241.5
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.