CID 481058

T-boc-ser-leu-asn-pheb

Structural Information

Molecular Formula
C26H42BN5O9
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)OC(C)(C)C)(O)O
InChI
InChI=1S/C26H42BN5O9/c1-15(2)11-17(29-24(37)19(14-33)31-25(38)41-26(3,4)5)22(35)30-18(13-21(28)34)23(36)32-20(27(39)40)12-16-9-7-6-8-10-16/h6-10,15,17-20,33,39-40H,11-14H2,1-5H3,(H2,28,34)(H,29,37)(H,30,35)(H,31,38)(H,32,36)/t17-,18-,19-,20-/m0/s1
InChIKey
VVLOSOXKRAKRHH-MUGJNUQGSA-N
Compound name
[(1R)-1-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]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

579.30756 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.31484 210.2
[M+Na]+ 602.29678 224.2
[M-H]- 578.30028 227.4
[M+NH4]+ 597.34138 219.6
[M+K]+ 618.27072 217.8
[M+H-H2O]+ 562.30482 208.8
[M+HCOO]- 624.30576 192.4
[M+CH3COO]- 638.32141 265.6
[M+Na-2H]- 600.28223 261.6
[M]+ 579.30701 198.6
[M]- 579.30811 198.6
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.