CID 477159

(2s)-2-amino-n-[(1s)-2-[[(1s)-1-(3-isobutyloxiran-2-yl)-2-phenyl-ethyl]amino]-1-methyl-2-oxo-ethyl]propanamide

Structural Information

Molecular Formula
C20H31N3O3
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C2C(O2)CC(C)C)N
InChI
InChI=1S/C20H31N3O3/c1-12(2)10-17-18(26-17)16(11-15-8-6-5-7-9-15)23-20(25)14(4)22-19(24)13(3)21/h5-9,12-14,16-18H,10-11,21H2,1-4H3,(H,22,24)(H,23,25)/t13-,14-,16-,17?,18?/m0/s1
InChIKey
ZFDQVCXEBRMKHZ-MTYRQZQISA-N
Compound name
(2S)-2-amino-N-[(2S)-1-[[(1S)-1-[3-(2-methylpropyl)oxiran-2-yl]-2-phenylethyl]amino]-1-oxopropan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.23654 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24382 184.8
[M+Na]+ 384.22576 187.1
[M-H]- 360.22926 191.3
[M+NH4]+ 379.27036 190.2
[M+K]+ 400.19970 185.3
[M+H-H2O]+ 344.23380 176.7
[M+HCOO]- 406.23474 203.1
[M+CH3COO]- 420.25039 228.7
[M+Na-2H]- 382.21121 181.7
[M]+ 361.23599 187.2
[M]- 361.23709 187.2
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.