CID 444523

Val-arg

Structural Information

Molecular Formula
C11H23N5O3
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N
InChI
InChI=1S/C11H23N5O3/c1-6(2)8(12)9(17)16-7(10(18)19)4-3-5-15-11(13)14/h6-8H,3-5,12H2,1-2H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1
InChIKey
IBIDRSSEHFLGSD-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2797
Patents

273.18008 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18736 167.2
[M+Na]+ 296.16930 167.0
[M+NH4]+ 291.21390 169.1
[M+K]+ 312.14324 167.9
[M-H]- 272.17280 164.4
[M+Na-2H]- 294.15475 164.0
[M]+ 273.17953 165.1
[M]- 273.18063 165.1
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