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
3
Annotation Hits

0
References

19851
Patents

287.19574 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20302 172.4
[M+Na]+ 310.18496 172.3
[M-H]- 286.18846 170.4
[M+NH4]+ 305.22956 184.9
[M+K]+ 326.15890 173.3
[M+H-H2O]+ 270.19300 164.2
[M+HCOO]- 332.19394 192.6
[M+CH3COO]- 346.20959 217.3
[M+Na-2H]- 308.17041 166.8
[M]+ 287.19519 166.8
[M]- 287.19629 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