CID 497870

Fvvr-nh2

Structural Information

Molecular Formula
C25H42N8O4
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C25H42N8O4/c1-14(2)19(23(36)31-18(21(27)34)11-8-12-30-25(28)29)33-24(37)20(15(3)4)32-22(35)17(26)13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-20H,8,11-13,26H2,1-4H3,(H2,27,34)(H,31,36)(H,32,35)(H,33,37)(H4,28,29,30)/t17-,18-,19-,20-/m0/s1
InChIKey
UJTCKYMDQBVQAB-MUGJNUQGSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

518.3329 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.34018 232.3
[M+Na]+ 541.32212 225.5
[M-H]- 517.32562 222.6
[M+NH4]+ 536.36672 211.3
[M+K]+ 557.29606 229.3
[M+H-H2O]+ 501.33016 221.4
[M+HCOO]- 563.33110 184.9
[M+CH3COO]- 577.34675 272.8
[M+Na-2H]- 539.30757 273.5
[M]+ 518.33235 184.5
[M]- 518.33345 184.5
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.