CID 464764

Benzyl n-[(1s,2s)-1-benzyl-3-[(tert-butoxycarbonylamino)-(3-furylmethyl)amino]-2-hydroxy-propyl]carbamate

Structural Information

Molecular Formula
C28H35N3O6
SMILES
CC(C)(C)OC(=O)NN(CC1=COC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O
InChI
InChI=1S/C28H35N3O6/c1-28(2,3)37-27(34)30-31(17-23-14-15-35-19-23)18-25(32)24(16-21-10-6-4-7-11-21)29-26(33)36-20-22-12-8-5-9-13-22/h4-15,19,24-25,32H,16-18,20H2,1-3H3,(H,29,33)(H,30,34)/t24-,25-/m0/s1
InChIKey
LBZLDUMXTRXCJJ-DQEYMECFSA-N
Compound name
tert-butyl N-[furan-3-ylmethyl-[(2S,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

509.2526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.25988 224.6
[M+Na]+ 532.24182 221.9
[M-H]- 508.24532 233.3
[M+NH4]+ 527.28642 228.7
[M+K]+ 548.21576 222.8
[M+H-H2O]+ 492.24986 214.1
[M+HCOO]- 554.25080 243.3
[M+CH3COO]- 568.26645 247.1
[M+Na-2H]- 530.22727 223.9
[M]+ 509.25205 228.1
[M]- 509.25315 228.1
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.