CID 464770

Benzyl n-[(1s,2s)-1-benzyl-3-[(tert-butoxycarbonylamino)-(isoxazol-4-ylmethyl)amino]-2-hydroxy-propyl]carbamate

Structural Information

Molecular Formula
C27H34N4O6
SMILES
CC(C)(C)OC(=O)NN(CC1=CON=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O
InChI
InChI=1S/C27H34N4O6/c1-27(2,3)37-26(34)30-31(16-22-15-28-36-19-22)17-24(32)23(14-20-10-6-4-7-11-20)29-25(33)35-18-21-12-8-5-9-13-21/h4-13,15,19,23-24,32H,14,16-18H2,1-3H3,(H,29,33)(H,30,34)/t23-,24-/m0/s1
InChIKey
BXJULZJTNMAJHA-ZEQRLZLVSA-N
Compound name
benzyl N-[(2S,3S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]-(1,2-oxazol-4-ylmethyl)amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

510.24783 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.25511 222.3
[M+Na]+ 533.23705 219.9
[M-H]- 509.24055 230.0
[M+NH4]+ 528.28165 225.0
[M+K]+ 549.21099 220.9
[M+H-H2O]+ 493.24509 211.1
[M+HCOO]- 555.24603 240.1
[M+CH3COO]- 569.26168 246.8
[M+Na-2H]- 531.22250 222.5
[M]+ 510.24728 225.9
[M]- 510.24838 225.9
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.