CID 5288634

1,5-bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide

Structural Information

Molecular Formula
C29H40N6O7
SMILES
CC(C)C[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1
InChIKey
HGDUWJVGIGLVOH-ZEQRLZLVSA-N
Compound name
benzyl N-[(2S)-4-methyl-1-[2-[[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]carbamoyl]hydrazinyl]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

584.29584 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.30312 241.0
[M+Na]+ 607.28506 234.1
[M-H]- 583.28856 244.9
[M+NH4]+ 602.32966 240.7
[M+K]+ 623.25900 237.1
[M+H-H2O]+ 567.29310 229.2
[M+HCOO]- 629.29404 259.7
[M+CH3COO]- 643.30969 270.3
[M+Na-2H]- 605.27051 235.5
[M]+ 584.29529 240.8
[M]- 584.29639 240.8
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

patents stripe