CID 506708

L-prolinamide, n-(4-morpholinylcarbonyl)-l-valyl-l-valyl-n-[(1s)-1-formylpropyl]-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C31H47N5O7
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)N2CCOCC2)OCC3=CC=CC=C3
InChI
InChI=1S/C31H47N5O7/c1-6-23(18-37)32-28(38)25-16-24(43-19-22-10-8-7-9-11-22)17-36(25)30(40)27(21(4)5)33-29(39)26(20(2)3)34-31(41)35-12-14-42-15-13-35/h7-11,18,20-21,23-27H,6,12-17,19H2,1-5H3,(H,32,38)(H,33,39)(H,34,41)/t23-,24+,25-,26-,27-/m0/s1
InChIKey
SMSWVEYLGRVOGP-YUDMECHNSA-N
Compound name
N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.34753 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.35481 243.9
[M+Na]+ 624.33675 236.3
[M-H]- 600.34025 248.5
[M+NH4]+ 619.38135 241.3
[M+K]+ 640.31069 238.5
[M+H-H2O]+ 584.34479 233.5
[M+HCOO]- 646.34573 250.7
[M+CH3COO]- 660.36138 269.4
[M+Na-2H]- 622.32220 232.3
[M]+ 601.34698 241.3
[M]- 601.34808 241.3
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.