CID 16076863

Z-vlf-tris

Structural Information

Molecular Formula
C32H46N4O8
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(CO)(CO)CO)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C32H46N4O8/c1-21(2)15-25(34-30(42)27(22(3)4)35-31(43)44-17-24-13-9-6-10-14-24)28(40)33-26(16-23-11-7-5-8-12-23)29(41)36-32(18-37,19-38)20-39/h5-14,21-22,25-27,37-39H,15-20H2,1-4H3,(H,33,40)(H,34,42)(H,35,43)(H,36,41)/t25-,26-,27-/m0/s1
InChIKey
BQHVDVQGVFXYHE-QKDODKLFSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

614.33154 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.33882 244.9
[M+Na]+ 637.32076 236.5
[M-H]- 613.32426 244.3
[M+NH4]+ 632.36536 228.6
[M+K]+ 653.29470 238.7
[M+H-H2O]+ 597.32880 234.8
[M+HCOO]- 659.32974 213.0
[M+CH3COO]- 673.34539 268.3
[M+Na-2H]- 635.30621 237.6
[M]+ 614.33099 243.8
[M]- 614.33209 243.8
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.