CID 3008153

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

Structural Information

Molecular Formula
C20H22N2O6
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CO)C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H22N2O6/c23-12-17(19(25)26)21-18(24)16(11-14-7-3-1-4-8-14)22-20(27)28-13-15-9-5-2-6-10-15/h1-10,16-17,23H,11-13H2,(H,21,24)(H,22,27)(H,25,26)/t16-,17-/m1/s1
InChIKey
CXVNVEDASVJQHE-IAGOWNOFSA-N
Compound name
(2R)-3-hydroxy-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

386.1478 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15508 189.9
[M+Na]+ 409.13702 189.8
[M-H]- 385.14052 192.4
[M+NH4]+ 404.18162 197.7
[M+K]+ 425.11096 188.2
[M+H-H2O]+ 369.14506 180.5
[M+HCOO]- 431.14600 207.9
[M+CH3COO]- 445.16165 218.4
[M+Na-2H]- 407.12247 189.1
[M]+ 386.14725 188.8
[M]- 386.14835 188.8
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.