CID 7021871

H-his-val-oh

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)N
InChI
InChI=1S/C11H18N4O3/c1-6(2)9(11(17)18)15-10(16)8(12)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9-/m0/s1
InChIKey
VLDVBZICYBVQHB-IUCAKERBSA-N
Compound name
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1864
Patents

254.1379 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 159.0
[M+Na]+ 277.12712 162.8
[M+NH4]+ 272.17172 161.9
[M+K]+ 293.10106 164.5
[M-H]- 253.13062 155.7
[M+Na-2H]- 275.11257 158.7
[M]+ 254.13735 157.6
[M]- 254.13845 157.6
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

patents stripe