CID 44722604

Carbobenzyloxy-l-methionyl-l-phenylalaninamide

Structural Information

Molecular Formula
C22H27N3O4S
SMILES
CSCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C22H27N3O4S/c1-30-13-12-18(25-22(28)29-15-17-10-6-3-7-11-17)21(27)24-19(20(23)26)14-16-8-4-2-5-9-16/h2-11,18-19H,12-15H2,1H3,(H2,23,26)(H,24,27)(H,25,28)/t18-,19-/m0/s1
InChIKey
IHIPHJZMMKKLPF-OALUTQOASA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.17224 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17952 200.9
[M+Na]+ 452.16146 206.6
[M+NH4]+ 447.20606 204.8
[M+K]+ 468.13540 200.8
[M-H]- 428.16496 203.3
[M+Na-2H]- 450.14691 205.2
[M]+ 429.17169 202.2
[M]- 429.17279 202.2
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.