CID 506779

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

Structural Information

Molecular Formula
C30H36N4O5
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)C2=CC3=CC=CC=C3N2)OCC4=CC=CC=C4
InChI
InChI=1S/C30H36N4O5/c1-4-22(17-35)31-29(37)26-15-23(39-18-20-10-6-5-7-11-20)16-34(26)30(38)27(19(2)3)33-28(36)25-14-21-12-8-9-13-24(21)32-25/h5-14,17,19,22-23,26-27,32H,4,15-16,18H2,1-3H3,(H,31,37)(H,33,36)/t22-,23+,26-,27-/m0/s1
InChIKey
UAANRKOBIIESGT-HSWFVFMJSA-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-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.26855 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.27583 227.9
[M+Na]+ 555.25777 226.8
[M-H]- 531.26127 234.1
[M+NH4]+ 550.30237 232.5
[M+K]+ 571.23171 223.8
[M+H-H2O]+ 515.26581 218.1
[M+HCOO]- 577.26675 241.6
[M+CH3COO]- 591.28240 250.6
[M+Na-2H]- 553.24322 220.4
[M]+ 532.26800 228.3
[M]- 532.26910 228.3
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.