CID 455005

(cbz-val-nhch2)2p(o)oh

Structural Information

Molecular Formula
C28H39N4O8P
SMILES
CC(C)[C@@H](C(=O)NCP(=O)(CNC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C28H39N4O8P/c1-19(2)23(31-27(35)39-15-21-11-7-5-8-12-21)25(33)29-17-41(37,38)18-30-26(34)24(20(3)4)32-28(36)40-16-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)(H,37,38)/t23-,24-/m0/s1
InChIKey
XHYJOOMNHWQWNT-ZEQRLZLVSA-N
Compound name
bis[[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]methyl]phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.25055 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.25783 238.3
[M+Na]+ 613.23977 232.0
[M-H]- 589.24327 230.4
[M+NH4]+ 608.28437 229.3
[M+K]+ 629.21371 234.8
[M+H-H2O]+ 573.24781 225.5
[M+HCOO]- 635.24875 218.1
[M+CH3COO]- 649.26440 265.1
[M+Na-2H]- 611.22522 231.3
[M]+ 590.25000 208.7
[M]- 590.25110 208.7
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.