CID 98765

Z-lys(boc)-oh

Structural Information

Molecular Formula
C19H28N2O6
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C19H28N2O6/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1
InChIKey
DYSBKEOCHROEGX-HNNXBMFYSA-N
Compound name
(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

705
Patents

380.19473 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20201 190.6
[M+Na]+ 403.18395 194.8
[M+NH4]+ 398.22855 192.6
[M+K]+ 419.15789 193.2
[M-H]- 379.18745 188.0
[M+Na-2H]- 401.16940 191.0
[M]+ 380.19418 189.6
[M]- 380.19528 189.6
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

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