CID 452252

Bzoc(decoohphe)p(o)(oh)cypentcovvnh2

Structural Information

Molecular Formula
C32H45N4O7P
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1CCCC1P(=O)(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O
InChI
InChI=1S/C32H45N4O7P/c1-20(2)27(29(33)37)35-31(39)28(21(3)4)36-30(38)24-16-11-17-25(24)44(41,42)26(18-22-12-7-5-8-13-22)34-32(40)43-19-23-14-9-6-10-15-23/h5-10,12-15,20-21,24-28H,11,16-19H2,1-4H3,(H2,33,37)(H,34,40)(H,35,39)(H,36,38)(H,41,42)/t24?,25?,26?,27-,28-/m0/s1
InChIKey
YCPONZKSHDFBLV-XDZYFCLLSA-N
Compound name
[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

628.3026 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.30988 245.7
[M+Na]+ 651.29182 236.8
[M-H]- 627.29532 249.4
[M+NH4]+ 646.33642 244.8
[M+K]+ 667.26576 239.5
[M+H-H2O]+ 611.29986 234.1
[M+HCOO]- 673.30080 261.7
[M+CH3COO]- 687.31645 274.1
[M+Na-2H]- 649.27727 233.6
[M]+ 628.30205 241.8
[M]- 628.30315 241.8
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.