CID 467144

Boc-phe-ghse-ser-phe-boc

Structural Information

Molecular Formula
C31H44N4O7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CCO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C31H44N4O7/c1-30(2,3)41-28(39)32-23(19-21-13-9-7-10-14-21)26(37)34-25(17-18-36)35-27(38)24(20-22-15-11-8-12-16-22)33-29(40)42-31(4,5)6/h7-16,23-25,36H,17-20H2,1-6H3,(H,32,39)(H,33,40)(H,34,37)(H,35,38)/t23-,24-/m0/s1
InChIKey
UDYGAAAFRKOEGM-ZEQRLZLVSA-N
Compound name
tert-butyl N-[(2S)-1-[[3-hydroxy-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

584.321 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.32828 239.3
[M+Na]+ 607.31022 233.6
[M-H]- 583.31372 241.9
[M+NH4]+ 602.35482 225.8
[M+K]+ 623.28416 235.3
[M+H-H2O]+ 567.31826 229.4
[M+HCOO]- 629.31920 217.4
[M+CH3COO]- 643.33485 263.8
[M+Na-2H]- 605.29567 236.5
[M]+ 584.32045 240.6
[M]- 584.32155 240.6
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.