CID 121494121

Pegapamodutide

Structural Information

Molecular Formula
C16H27N3O7S
SMILES
COCCOCCCNC(=O)CCN1C(=O)CC(C1=O)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C16H27N3O7S/c1-25-7-8-26-6-2-4-18-13(20)3-5-19-14(21)9-12(15(19)22)27-10-11(17)16(23)24/h11-12H,2-10,17H2,1H3,(H,18,20)(H,23,24)/t11-,12?/m0/s1
InChIKey
DLVAZTPQKCTPLB-PXYINDEMSA-N
Compound name
(2R)-2-amino-3-[1-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

130
Patents

405.15698 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16426 192.2
[M+Na]+ 428.14620 193.5
[M-H]- 404.14970 191.0
[M+NH4]+ 423.19080 201.7
[M+K]+ 444.12014 191.6
[M+H-H2O]+ 388.15424 184.3
[M+HCOO]- 450.15518 204.5
[M+CH3COO]- 464.17083 223.7
[M+Na-2H]- 426.13165 185.9
[M]+ 405.15643 197.0
[M]- 405.15753 197.0
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

patents stripe