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]+ 575.286376 237.2
[M+Na]+ 597.268318 233.1
[M-H]- 573.271824 243.5
[M+NH4]+ 592.312923 237.1
[M+K]+ 613.242258 233.2
[M+H-H2O]+ 557.276360 226.2
[M+HCOO]- 619.277301 252.5
[M+CH3COO]- 633.292951 265.2
[M+Na-2H]- 595.253766 233.4
[M]+ 574.27855142 236.4
[M]- 574.27964858 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.