CID 25220914

D-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide

Structural Information

Molecular Formula
C19H29N5O2
SMILES
CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N)N
InChI
InChI=1S/C19H29N5O2/c1-12(2)10-15(20)19(26)24-9-3-4-16(24)18(25)23-11-13-5-7-14(8-6-13)17(21)22/h5-8,12,15-16H,3-4,9-11,20H2,1-2H3,(H3,21,22)(H,23,25)/t15-,16+/m1/s1
InChIKey
XFNMDMGNNKIXBT-CVEARBPZSA-N
Compound name
(2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

359.23212 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23940 189.7
[M+Na]+ 382.22134 189.6
[M-H]- 358.22484 193.3
[M+NH4]+ 377.26594 200.4
[M+K]+ 398.19528 187.3
[M+H-H2O]+ 342.22938 180.5
[M+HCOO]- 404.23032 207.9
[M+CH3COO]- 418.24597 227.2
[M+Na-2H]- 380.20679 183.8
[M]+ 359.23157 182.5
[M]- 359.23267 182.5
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.