CID 3008169

L-cysteine, n-[(phenylmethoxy)carbonyl]-l-seryl-s-(phenylmethyl)-

Structural Information

Molecular Formula
C21H24N2O6S
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CO)C(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C21H24N2O6S/c24-11-17(23-21(28)29-12-15-7-3-1-4-8-15)19(25)22-18(20(26)27)14-30-13-16-9-5-2-6-10-16/h1-10,17-18,24H,11-14H2,(H,22,25)(H,23,28)(H,26,27)/t17-,18-/m0/s1
InChIKey
UERYOBJTCMKIDQ-ROUUACIJSA-N
Compound name
(2R)-3-benzylsulfanyl-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.1355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14278 200.6
[M+Na]+ 455.12472 199.7
[M-H]- 431.12822 202.5
[M+NH4]+ 450.16932 207.0
[M+K]+ 471.09866 196.6
[M+H-H2O]+ 415.13276 191.2
[M+HCOO]- 477.13370 213.0
[M+CH3COO]- 491.14935 224.6
[M+Na-2H]- 453.11017 198.3
[M]+ 432.13495 202.1
[M]- 432.13605 202.1
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.