CID 506778

L-prolinamide, n-(1h-pyrrol-2-ylcarbonyl)-l-valyl-n-[(1s)-1-formylpropyl]-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C26H34N4O5
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)C2=CC=CN2)OCC3=CC=CC=C3
InChI
InChI=1S/C26H34N4O5/c1-4-19(15-31)28-25(33)22-13-20(35-16-18-9-6-5-7-10-18)14-30(22)26(34)23(17(2)3)29-24(32)21-11-8-12-27-21/h5-12,15,17,19-20,22-23,27H,4,13-14,16H2,1-3H3,(H,28,33)(H,29,32)/t19-,20+,22-,23-/m0/s1
InChIKey
MHNXWGRKWVZDMG-MQFRRQCYSA-N
Compound name
N-[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.25293 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.26021 216.7
[M+Na]+ 505.24215 214.7
[M-H]- 481.24565 221.8
[M+NH4]+ 500.28675 222.3
[M+K]+ 521.21609 212.7
[M+H-H2O]+ 465.25019 206.9
[M+HCOO]- 527.25113 230.9
[M+CH3COO]- 541.26678 240.2
[M+Na-2H]- 503.22760 207.9
[M]+ 482.25238 215.2
[M]- 482.25348 215.2
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.