CID 515906

Tert-butyl ((1s,2s)-1-benzyl-3-{(3s)-3-benzyl-1-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2-oxopyrrolidin-3-yl}-2-hydroxypropyl)carbamate

Structural Information

Molecular Formula
C35H42N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@@]2(CCN(C2=O)[C@@H]3[C@@H](CC4=CC=CC=C34)O)CC5=CC=CC=C5)O
InChI
InChI=1S/C35H42N2O5/c1-34(2,3)42-33(41)36-28(20-24-12-6-4-7-13-24)30(39)23-35(22-25-14-8-5-9-15-25)18-19-37(32(35)40)31-27-17-11-10-16-26(27)21-29(31)38/h4-17,28-31,38-39H,18-23H2,1-3H3,(H,36,41)/t28-,29+,30-,31-,35+/m0/s1
InChIKey
IZDSNPAQXFHSKV-IREVDNFNSA-N
Compound name
tert-butyl N-[(2S,3S)-4-[(3S)-3-benzyl-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.3094 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.31668 239.3
[M+Na]+ 593.29862 238.6
[M-H]- 569.30212 247.8
[M+NH4]+ 588.34322 245.3
[M+K]+ 609.27256 234.2
[M+H-H2O]+ 553.30666 230.3
[M+HCOO]- 615.30760 249.2
[M+CH3COO]- 629.32325 251.6
[M+Na-2H]- 591.28407 233.3
[M]+ 570.30885 237.7
[M]- 570.30995 237.7
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.