CID 475583

162739-26-6

Structural Information

Molecular Formula
C36H52N6O6
SMILES
CC(C)C1=NC(=CO1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C36H52N6O6/c1-24(2)31(39-34(45)41(8)21-28-23-47-33(37-28)25(3)4)32(44)38-29(19-26-15-11-9-12-16-26)30(43)22-42(20-27-17-13-10-14-18-27)40-35(46)48-36(5,6)7/h9-18,23-25,29-31,43H,19-22H2,1-8H3,(H,38,44)(H,39,45)(H,40,46)/t29-,30-,31-/m0/s1
InChIKey
CPHYYBIFGVJFHB-CHQNGUEUSA-N
Compound name
tert-butyl N-[benzyl-[(2S,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-4-phenylbutyl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.39484 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.40212 264.3
[M+Na]+ 687.38406 256.4
[M-H]- 663.38756 272.5
[M+NH4]+ 682.42866 260.8
[M+K]+ 703.35800 261.1
[M+H-H2O]+ 647.39210 252.9
[M+HCOO]- 709.39304 278.0
[M+CH3COO]- 723.40869 288.6
[M+Na-2H]- 685.36951 257.2
[M]+ 664.39429 268.2
[M]- 664.39539 268.2
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.