CID 454125

Cbzaf(chohch2)gvvome

Structural Information

Molecular Formula
C34H49N5O8
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CNCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C34H49N5O8/c1-21(2)29(32(43)39-30(22(3)4)33(44)46-6)38-28(41)19-35-18-27(40)26(17-24-13-9-7-10-14-24)37-31(42)23(5)36-34(45)47-20-25-15-11-8-12-16-25/h7-16,21-23,26-27,29-30,35,40H,17-20H2,1-6H3,(H,36,45)(H,37,42)(H,38,41)(H,39,43)/t23-,26-,27-,29-,30-/m0/s1
InChIKey
AMNUPPCGLALUBJ-GKORLBRISA-N
Compound name
methyl (2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-hydroxy-4-phenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

655.3581 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 656.36538 235.3
[M+Na]+ 678.34732 254.1
[M-H]- 654.35082 251.3
[M+NH4]+ 673.39192 249.8
[M+K]+ 694.32126 245.7
[M+H-H2O]+ 638.35536 248.1
[M+HCOO]- 700.35630 221.1
[M+CH3COO]- 714.37195 283.5
[M+Na-2H]- 676.33277 288.0
[M]+ 655.35755 225.4
[M]- 655.35865 225.4
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.