CID 10206927

Pd201412

Structural Information

Molecular Formula
C24H25N5O7
SMILES
CC1=CC(=NO1)C(=O)NC2=CC=CN(C2=O)[C@@H](CC#C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)/C=C/C(=O)O
InChI
InChI=1S/C24H25N5O7/c1-3-5-19(23(34)26-16(7-8-20(30)31)13-15-9-10-25-21(15)32)29-11-4-6-17(24(29)35)27-22(33)18-12-14(2)36-28-18/h1,4,6-8,11-12,15-16,19H,5,9-10,13H2,2H3,(H,25,32)(H,26,34)(H,27,33)(H,30,31)/b8-7+/t15-,16+,19-/m0/s1
InChIKey
NYQNVNPIRYJKJL-XKWXFNMBSA-N
Compound name
(E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-1-yl]pent-4-ynoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

495.17538 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.18266 217.1
[M+Na]+ 518.16460 219.8
[M-H]- 494.16810 217.3
[M+NH4]+ 513.20920 217.5
[M+K]+ 534.13854 215.8
[M+H-H2O]+ 478.17264 200.4
[M+HCOO]- 540.17358 223.9
[M+CH3COO]- 554.18923 241.5
[M+Na-2H]- 516.15005 208.0
[M]+ 495.17483 209.8
[M]- 495.17593 209.8
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