CID 467140

Boc-phe-gser-phe-boc

Structural Information

Molecular Formula
C30H42N4O7
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C30H42N4O7/c1-29(2,3)40-27(38)31-22(17-20-13-9-7-10-14-20)25(36)33-24(19-35)34-26(37)23(18-21-15-11-8-12-16-21)32-28(39)41-30(4,5)6/h7-16,22-24,35H,17-19H2,1-6H3,(H,31,38)(H,32,39)(H,33,36)(H,34,37)/t22-,23-/m0/s1
InChIKey
PNZPTSWZEIUKPO-GOTSBHOMSA-N
Compound name
tert-butyl N-[(2S)-1-[[2-hydroxy-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.30536 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.31264 235.2
[M+Na]+ 593.29458 229.8
[M-H]- 569.29808 237.9
[M+NH4]+ 588.33918 235.8
[M+K]+ 609.26852 231.7
[M+H-H2O]+ 553.30262 225.4
[M+HCOO]- 615.30356 248.9
[M+CH3COO]- 629.31921 261.0
[M+Na-2H]- 591.28003 232.8
[M]+ 570.30481 236.1
[M]- 570.30591 236.1
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.