CID 11555892

Z-arg(pbf)-oh cha

Structural Information

Molecular Formula
C27H36N4O7S
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3)N)C
InChI
InChI=1S/C27H36N4O7S/c1-16-17(2)23(18(3)20-14-27(4,5)38-22(16)20)39(35,36)31-25(28)29-13-9-12-21(24(32)33)30-26(34)37-15-19-10-7-6-8-11-19/h6-8,10-11,21H,9,12-15H2,1-5H3,(H,30,34)(H,32,33)(H3,28,29,31)/t21-/m0/s1
InChIKey
YBLFBAMLWBGRMI-NRFANRHFSA-N
Compound name
(2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.23047 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.23775 230.0
[M+Na]+ 583.21969 233.0
[M+NH4]+ 578.26429 232.2
[M+K]+ 599.19363 230.1
[M-H]- 559.22319 231.5
[M+Na-2H]- 581.20514 231.4
[M]+ 560.22992 230.6
[M]- 560.23102 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.