CID 506721

D-leucinamide, n-[4-hydroxy-3-(4-morpholinylmethyl)benzoyl]-l-valyl-l-valyl-n1-[(1r)-1-formylpropyl]-

Structural Information

Molecular Formula
C32H51N5O7
SMILES
CC[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C1=CC(=C(C=C1)O)CN2CCOCC2
InChI
InChI=1S/C32H51N5O7/c1-8-24(18-38)33-30(41)25(15-19(2)3)34-31(42)27(20(4)5)36-32(43)28(21(6)7)35-29(40)22-9-10-26(39)23(16-22)17-37-11-13-44-14-12-37/h9-10,16,18-21,24-25,27-28,39H,8,11-15,17H2,1-7H3,(H,33,41)(H,34,42)(H,35,40)(H,36,43)/t24-,25-,27+,28+/m1/s1
InChIKey
VLMLWHOABLTPBW-CZJMETBBSA-N
Compound name
4-hydroxy-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[[(2R)-4-methyl-1-oxo-1-[[(2R)-1-oxobutan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-3-(morpholin-4-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.37885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.38613 253.6
[M+Na]+ 640.36807 245.4
[M-H]- 616.37157 254.7
[M+NH4]+ 635.41267 248.7
[M+K]+ 656.34201 248.8
[M+H-H2O]+ 600.37611 243.5
[M+HCOO]- 662.37705 228.8
[M+CH3COO]- 676.39270 278.8
[M+Na-2H]- 638.35352 240.4
[M]+ 617.37830 251.8
[M]- 617.37940 251.8
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

No patent data available for this compound.