CID 3008151

D-phenylalanine, n-[(phenylmethoxy)carbonyl]-d-phenylalanyl-

Structural Information

Molecular Formula
C26H26N2O5
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m1/s1
InChIKey
JNRHNGGTJOBXHL-DHIUTWEWSA-N
Compound name
(2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

446.18417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19145 207.2
[M+Na]+ 469.17339 206.0
[M-H]- 445.17689 213.5
[M+NH4]+ 464.21799 212.5
[M+K]+ 485.14733 203.0
[M+H-H2O]+ 429.18143 196.1
[M+HCOO]- 491.18237 225.6
[M+CH3COO]- 505.19802 232.0
[M+Na-2H]- 467.15884 206.4
[M]+ 446.18362 205.8
[M]- 446.18472 205.8
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

No patent data available for this compound.