CID 515343

Val-val-asn-asp-leu

Structural Information

Molecular Formula
C24H42N6O9
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C24H42N6O9/c1-10(2)7-15(24(38)39)29-21(35)14(9-17(32)33)27-20(34)13(8-16(25)31)28-23(37)19(12(5)6)30-22(36)18(26)11(3)4/h10-15,18-19H,7-9,26H2,1-6H3,(H2,25,31)(H,27,34)(H,28,37)(H,29,35)(H,30,36)(H,32,33)(H,38,39)/t13-,14-,15-,18-,19-/m0/s1
InChIKey
SGIWPAGWLKAFCF-FLKCQLHMSA-N
Compound name
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

106
Patents

558.30133 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.30861 203.7
[M+Na]+ 581.29055 219.7
[M-H]- 557.29405 225.3
[M+NH4]+ 576.33515 217.6
[M+K]+ 597.26449 215.9
[M+H-H2O]+ 541.29859 204.4
[M+HCOO]- 603.29953 172.5
[M+CH3COO]- 617.31518 271.3
[M+Na-2H]- 579.27600 268.4
[M]+ 558.30078 189.8
[M]- 558.30188 189.8
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.