CID 475594

162739-44-8

Structural Information

Molecular Formula
C35H49N5O8
SMILES
CC(C)C1=NC(=CO1)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN(CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C35H49N5O8/c1-22(2)30(38-33(44)47-21-26-20-46-32(36-26)23(3)4)31(43)37-28(17-24-11-9-8-10-12-24)29(42)19-40(39-34(45)48-35(5,6)7)18-25-13-15-27(41)16-14-25/h8-16,20,22-23,28-30,41-42H,17-19,21H2,1-7H3,(H,37,43)(H,38,44)(H,39,45)/t28-,29-,30-/m0/s1
InChIKey
XJAHQSRTXRZFKG-DTXPUJKBSA-N
Compound name
(2-propan-2-yl-1,3-oxazol-4-yl)methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

667.3581 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 668.36538 260.4
[M+Na]+ 690.34732 253.3
[M-H]- 666.35082 266.5
[M+NH4]+ 685.39192 255.8
[M+K]+ 706.32126 257.8
[M+H-H2O]+ 650.35536 249.6
[M+HCOO]- 712.35630 271.8
[M+CH3COO]- 726.37195 282.0
[M+Na-2H]- 688.33277 282.4
[M]+ 667.35755 264.8
[M]- 667.35865 264.8
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

patents stripe