CID 497871

Fvkr-nh2

Structural Information

Molecular Formula
C26H45N9O4
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N
InChI
InChI=1S/C26H45N9O4/c1-16(2)21(35-23(37)18(28)15-17-9-4-3-5-10-17)25(39)34-20(11-6-7-13-27)24(38)33-19(22(29)36)12-8-14-32-26(30)31/h3-5,9-10,16,18-21H,6-8,11-15,27-28H2,1-2H3,(H2,29,36)(H,33,38)(H,34,39)(H,35,37)(H4,30,31,32)/t18-,19-,20-,21-/m0/s1
InChIKey
QDJLYHROIPAPMT-TUFLPTIASA-N
Compound name
(2S)-6-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

547.35944 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.36672 238.7
[M+Na]+ 570.34866 239.2
[M-H]- 546.35216 239.4
[M+NH4]+ 565.39326 210.5
[M+K]+ 586.32260 239.3
[M+H-H2O]+ 530.35670 219.3
[M+HCOO]- 592.35764 187.1
[M+CH3COO]- 606.37329 279.5
[M+Na-2H]- 568.33411 277.6
[M]+ 547.35889 279.4
[M]- 547.35999 279.4
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.