CID 10951013

Boc-arg(mtr)-oh

Structural Information

Molecular Formula
C21H34N4O7S
SMILES
CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)N)C)C)OC
InChI
InChI=1S/C21H34N4O7S/c1-12-11-16(31-7)13(2)14(3)17(12)33(29,30)25-19(22)23-10-8-9-15(18(26)27)24-20(28)32-21(4,5)6/h11,15H,8-10H2,1-7H3,(H,24,28)(H,26,27)(H3,22,23,25)/t15-/m0/s1
InChIKey
CXZHJRGYWGPJSD-HNNXBMFYSA-N
Compound name
(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

486.2148 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.22208 213.5
[M+Na]+ 509.20402 214.8
[M+NH4]+ 504.24862 223.9
[M+K]+ 525.17796 214.1
[M-H]- 485.20752 210.3
[M+Na-2H]- 507.18947 211.6
[M]+ 486.21425 212.3
[M]- 486.21535 212.3
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