CID 481057

Ac-ser-leu-asn-pheb

Structural Information

Molecular Formula
C23H36BN5O8
SMILES
B([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)(O)O
InChI
InChI=1S/C23H36BN5O8/c1-13(2)9-16(27-23(35)18(12-30)26-14(3)31)21(33)28-17(11-20(25)32)22(34)29-19(24(36)37)10-15-7-5-4-6-8-15/h4-8,13,16-19,30,36-37H,9-12H2,1-3H3,(H2,25,32)(H,26,31)(H,27,35)(H,28,33)(H,29,34)/t16-,17-,18-,19-/m0/s1
InChIKey
MRQYJDFBHOQGQT-VJANTYMQSA-N
Compound name
[(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-phenylethyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

521.2657 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.27298 207.4
[M+Na]+ 544.25492 222.5
[M-H]- 520.25842 222.6
[M+NH4]+ 539.29952 214.7
[M+K]+ 560.22886 213.7
[M+H-H2O]+ 504.26296 213.8
[M+HCOO]- 566.26390 189.6
[M+CH3COO]- 580.27955 256.2
[M+Na-2H]- 542.24037 256.9
[M]+ 521.26515 193.4
[M]- 521.26625 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.