CID 497869

Fvsr-nh2

Structural Information

Molecular Formula
C23H38N8O5
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C23H38N8O5/c1-13(2)18(31-20(34)15(24)11-14-7-4-3-5-8-14)22(36)30-17(12-32)21(35)29-16(19(25)33)9-6-10-28-23(26)27/h3-5,7-8,13,15-18,32H,6,9-12,24H2,1-2H3,(H2,25,33)(H,29,35)(H,30,36)(H,31,34)(H4,26,27,28)/t15-,16-,17-,18-/m0/s1
InChIKey
ZLXILXDPWMWMAZ-XSLAGTTESA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

506.2965 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.30378 223.4
[M+Na]+ 529.28572 216.9
[M-H]- 505.28922 217.8
[M+NH4]+ 524.33032 204.2
[M+K]+ 545.25966 220.6
[M+H-H2O]+ 489.29376 212.4
[M+HCOO]- 551.29470 182.1
[M+CH3COO]- 565.31035 267.1
[M+Na-2H]- 527.27117 265.5
[M]+ 506.29595 266.9
[M]- 506.29705 266.9
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.