CID 486819

Fmoc-phe-psi[co n(oh)]-phe-pro-nh tbu

Structural Information

Molecular Formula
C42H46N4O6
SMILES
CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)N(C(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)O
InChI
InChI=1S/C42H46N4O6/c1-42(2,3)44-38(47)36-23-14-24-45(36)40(49)37(26-29-17-8-5-9-18-29)46(51)39(48)35(25-28-15-6-4-7-16-28)43-41(50)52-27-34-32-21-12-10-19-30(32)31-20-11-13-22-33(31)34/h4-13,15-22,34-37,51H,14,23-27H2,1-3H3,(H,43,50)(H,44,47)/t35-,36+,37-/m0/s1
InChIKey
IPCIAPYGVBJKEI-QOEXFKEZSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-[(2R)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-hydroxyamino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

702.34174 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.34902 258.1
[M+Na]+ 725.33096 251.3
[M-H]- 701.33446 268.6
[M+NH4]+ 720.37556 256.8
[M+K]+ 741.30490 251.0
[M+H-H2O]+ 685.33900 248.0
[M+HCOO]- 747.33994 267.8
[M+CH3COO]- 761.35559 284.1
[M+Na-2H]- 723.31641 252.3
[M]+ 702.34119 257.6
[M]- 702.34229 257.6
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.