CID 3009788

Bocnh-leu-phe-gln-cho

Structural Information

Molecular Formula
C33H45N5O7
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C=O)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C33H45N5O7/c1-21(2)17-26(37-32(43)29(22(3)4)38-33(44)45-20-24-13-9-6-10-14-24)31(42)36-27(18-23-11-7-5-8-12-23)30(41)35-25(19-39)15-16-28(34)40/h5-14,19,21-22,25-27,29H,15-18,20H2,1-4H3,(H2,34,40)(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t25-,26-,27-,29-/m0/s1
InChIKey
WHLBHMQGHQIUSJ-QFVIIZQESA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.3319 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.33918 253.6
[M+Na]+ 646.32112 245.3
[M-H]- 622.32462 241.3
[M+NH4]+ 641.36572 240.0
[M+K]+ 662.29506 247.9
[M+H-H2O]+ 606.32916 242.3
[M+HCOO]- 668.33010 216.2
[M+CH3COO]- 682.34575 279.5
[M+Na-2H]- 644.30657 242.5
[M]+ 623.33135 215.7
[M]- 623.33245 215.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.