CID 5280053

Ag-7404

Structural Information

Molecular Formula
C26H29N5O7
SMILES
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC#C)N2C=CC=C(C2=O)NC(=O)C3=NOC(=C3)C
InChI
InChI=1S/C26H29N5O7/c1-4-7-21(31-13-6-8-19(26(31)36)29-24(34)20-14-16(3)38-30-20)25(35)28-18(9-10-22(32)37-5-2)15-17-11-12-27-23(17)33/h1,6,8-10,13-14,17-18,21H,5,7,11-12,15H2,2-3H3,(H,27,33)(H,28,35)(H,29,34)/b10-9+/t17-,18+,21-/m0/s1
InChIKey
QCUZOJBYWQPLIN-BNMFZAHFSA-N
Compound name
ethyl (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-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

523.2067 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.21398 223.3
[M+Na]+ 546.19592 225.8
[M-H]- 522.19942 224.4
[M+NH4]+ 541.24052 223.5
[M+K]+ 562.16986 222.0
[M+H-H2O]+ 506.20396 206.3
[M+HCOO]- 568.20490 231.0
[M+CH3COO]- 582.22055 247.6
[M+Na-2H]- 544.18137 214.0
[M]+ 523.20615 218.2
[M]- 523.20725 218.2
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

No patent data available for this compound.