CID 481056

Ser-leu-asn-pheb

Structural Information

Molecular Formula
C21H34BN5O7
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)N)(O)O
InChI
InChI=1S/C21H34BN5O7/c1-12(2)8-15(25-19(30)14(23)11-28)20(31)26-16(10-18(24)29)21(32)27-17(22(33)34)9-13-6-4-3-5-7-13/h3-7,12,14-17,28,33-34H,8-11,23H2,1-2H3,(H2,24,29)(H,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-/m0/s1
InChIKey
YXSBTJIXWFFHRF-QAETUUGQSA-N
Compound name
[(1R)-1-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-2-phenylethyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.25513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.26241 213.9
[M+Na]+ 502.24435 208.1
[M-H]- 478.24785 210.4
[M+NH4]+ 497.28895 202.6
[M+K]+ 518.21829 210.9
[M+H-H2O]+ 462.25239 204.6
[M+HCOO]- 524.25333 182.5
[M+CH3COO]- 538.26898 248.4
[M+Na-2H]- 500.22980 203.2
[M]+ 479.25458 207.7
[M]- 479.25568 207.7
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.