CID 9574786

Cbz-(r)-phe-psi[(s)-p(ome)o-n]-(2s)-pro-(2s)-ile-nh-ibu

Structural Information

Molecular Formula
C32H47N4O6P
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CCCN1[P@](=O)([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C32H47N4O6P/c1-6-24(4)29(31(38)33-21-23(2)3)35-30(37)27-18-13-19-36(27)43(40,41-5)28(20-25-14-9-7-10-15-25)34-32(39)42-22-26-16-11-8-12-17-26/h7-12,14-17,23-24,27-29H,6,13,18-22H2,1-5H3,(H,33,38)(H,34,39)(H,35,37)/t24-,27-,28+,29-,43-/m0/s1
InChIKey
ATSZQSWZXJCZAO-AEWXERQQSA-N
Compound name
benzyl N-[(1R)-1-[methoxy-[(2S)-2-[[(2S,3S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]phosphoryl]-2-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

614.3233 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.33058 246.8
[M+Na]+ 637.31252 239.7
[M-H]- 613.31602 251.2
[M+NH4]+ 632.35712 246.8
[M+K]+ 653.28646 240.4
[M+H-H2O]+ 597.32056 233.7
[M+HCOO]- 659.32150 264.3
[M+CH3COO]- 673.33715 270.2
[M+Na-2H]- 635.29797 236.9
[M]+ 614.32275 247.3
[M]- 614.32385 247.3
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.