CID 6992563

Arg-leu

Structural Information

Molecular Formula
C12H25N5O3
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C12H25N5O3/c1-7(2)6-9(11(19)20)17-10(18)8(13)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)/t8-,9-/m0/s1
InChIKey
WYBVBIHNJWOLCJ-IUCAKERBSA-N
Compound name
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16137
Patents

287.19574 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.203016 172.4
[M+Na]+ 310.184958 172.3
[M-H]- 286.188464 170.4
[M+NH4]+ 305.229563 184.9
[M+K]+ 326.158898 173.3
[M+H-H2O]+ 270.193000 164.2
[M+HCOO]- 332.193941 192.6
[M+CH3COO]- 346.209591 217.3
[M+Na-2H]- 308.170406 166.8
[M]+ 287.19519142 166.8
[M]- 287.19628858 166.8
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