CID 72429

Leupeptin

Structural Information

Molecular Formula
C20H38N6O4
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C
InChI
InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)/t15-,16-,17-/m0/s1
InChIKey
GDBQQVLCIARPGH-ULQDDVLXSA-N
Compound name
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

971
References

59556
Patents

426.29544 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.30272 223.3
[M+Na]+ 449.28466 241.3
[M+NH4]+ 444.32926 232.9
[M+K]+ 465.25860 234.2
[M-H]- 425.28816 236.8
[M+Na-2H]- 447.27011 234.6
[M]+ 426.29489 230.1
[M]- 426.29599 230.1
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