CID 9845918

Zvad peptide

Structural Information

Molecular Formula
C20H27N3O8
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C20H27N3O8/c1-11(2)16(23-20(30)31-10-13-7-5-4-6-8-13)18(27)21-12(3)17(26)22-14(19(28)29)9-15(24)25/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,27)(H,22,26)(H,23,30)(H,24,25)(H,28,29)/t12-,14-,16-/m0/s1
InChIKey
ZEQLKYSQIAZNOS-NOLJZWGESA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

201
References

414
Patents

437.1798 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.18708 201.8
[M+Na]+ 460.16902 199.2
[M-H]- 436.17252 200.9
[M+NH4]+ 455.21362 207.8
[M+K]+ 476.14296 201.5
[M+H-H2O]+ 420.17706 193.2
[M+HCOO]- 482.17800 192.4
[M+CH3COO]- 496.19365 234.2
[M+Na-2H]- 458.15447 194.6
[M]+ 437.17925 201.5
[M]- 437.18035 201.5
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.