CID 11199796

L61on15y29

Structural Information

Molecular Formula
C20H30N2O5
SMILES
CC(C)(C)CCN[C@@H](CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(18(24)25)13-17(23)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1
InChIKey
HNYKEZFDIAHRBD-HOTGVXAUSA-N
Compound name
(2S)-2-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

378.21548 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.222756 193.4
[M+Na]+ 401.204698 193.5
[M-H]- 377.208204 194.0
[M+NH4]+ 396.249303 203.2
[M+K]+ 417.178638 192.8
[M+H-H2O]+ 361.212740 185.6
[M+HCOO]- 423.213681 210.0
[M+CH3COO]- 437.229331 222.5
[M+Na-2H]- 399.190146 191.2
[M]+ 378.21493142 195.0
[M]- 378.21602858 195.0
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