CID 16076869

Z-aif-tris

Structural Information

Molecular Formula
C30H42N4O8
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CO)(CO)CO)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C30H42N4O8/c1-4-20(2)25(33-26(38)21(3)31-29(41)42-16-23-13-9-6-10-14-23)28(40)32-24(15-22-11-7-5-8-12-22)27(39)34-30(17-35,18-36)19-37/h5-14,20-21,24-25,35-37H,4,15-19H2,1-3H3,(H,31,41)(H,32,40)(H,33,38)(H,34,39)/t20-,21-,24-,25-/m0/s1
InChIKey
GWOWGLIDJZFXLO-NBMBROAQSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

586.3003 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.30758 236.9
[M+Na]+ 609.28952 229.5
[M-H]- 585.29302 236.6
[M+NH4]+ 604.33412 222.2
[M+K]+ 625.26346 231.2
[M+H-H2O]+ 569.29756 226.7
[M+HCOO]- 631.29850 211.1
[M+CH3COO]- 645.31415 262.0
[M+Na-2H]- 607.27497 231.5
[M]+ 586.29975 235.7
[M]- 586.30085 235.7
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.