CID 15955779

N-[6-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-4-oxo-4h-3,1-benzoxazin-2-yl]-o-methyl-l-tyrosine,dimethylamide

Structural Information

Molecular Formula
C26H32N4O6
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=C(C=C3)OC)C(=O)N(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C26H32N4O6/c1-15-18(29-25(33)36-26(2,3)4)12-13-19-21(15)23(32)35-24(27-19)28-20(22(31)30(5)6)14-16-8-10-17(34-7)11-9-16/h8-13,20H,14H2,1-7H3,(H,27,28)(H,29,33)/t20-/m0/s1
InChIKey
DTOZVOQQUBUDFZ-FQEVSTJZSA-N
Compound name
tert-butyl N-[2-[[(2S)-1-(dimethylamino)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-5-methyl-4-oxo-3,1-benzoxazin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.23218 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.23946 222.9
[M+Na]+ 519.22140 226.8
[M-H]- 495.22490 231.1
[M+NH4]+ 514.26600 227.8
[M+K]+ 535.19534 227.6
[M+H-H2O]+ 479.22944 212.1
[M+HCOO]- 541.23038 240.9
[M+CH3COO]- 555.24603 254.4
[M+Na-2H]- 517.20685 224.2
[M]+ 496.23163 230.6
[M]- 496.23273 230.6
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

No patent data available for this compound.