CID 3059331

N-(n-acetyl-d-phenylalanyl)-d-tryptophan methyl ester

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
InChI
InChI=1S/C23H25N3O4/c1-15(27)25-20(12-16-8-4-3-5-9-16)22(28)26-21(23(29)30-2)13-17-14-24-19-11-7-6-10-18(17)19/h3-11,14,20-21,24H,12-13H2,1-2H3,(H,25,27)(H,26,28)/t20-,21-/m1/s1
InChIKey
NIXPIONKGWROJJ-NHCUHLMSSA-N
Compound name
methyl (2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 197.5
[M+Na]+ 430.17372 205.7
[M+NH4]+ 425.21832 201.6
[M+K]+ 446.14766 203.2
[M-H]- 406.17722 199.1
[M+Na-2H]- 428.15917 201.7
[M]+ 407.18395 198.5
[M]- 407.18505 198.5
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.