CID 486827

Hmba-phe-psi[co n(oh)]-gly-phe-nh tbu

Structural Information

Molecular Formula
C32H38N4O6
SMILES
CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C32H38N4O6/c1-21-24(16-11-17-27(21)37)29(39)34-26(19-23-14-9-6-10-15-23)31(41)36(42)20-28(38)33-25(30(40)35-32(2,3)4)18-22-12-7-5-8-13-22/h5-17,25-26,37,42H,18-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)/t25-,26-/m0/s1
InChIKey
XHOOLYUQVGMBQA-UIOOFZCWSA-N
Compound name
N-[(2S)-1-[[2-[[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-hydroxyamino]-1-oxo-3-phenylpropan-2-yl]-3-hydroxy-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.2791 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.28638 237.2
[M+Na]+ 597.26832 233.1
[M-H]- 573.27182 243.5
[M+NH4]+ 592.31292 237.1
[M+K]+ 613.24226 233.2
[M+H-H2O]+ 557.27636 226.2
[M+HCOO]- 619.27730 252.5
[M+CH3COO]- 633.29295 265.2
[M+Na-2H]- 595.25377 233.4
[M]+ 574.27855 236.4
[M]- 574.27965 236.4
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.