CID 198154

Leucylnegamycin

Structural Information

Molecular Formula
C15H31N5O5
SMILES
CC(C)C[C@@H](C(=O)NC[C@@H](C[C@H](CC(=O)NN(C)CC(=O)O)N)O)N
InChI
InChI=1S/C15H31N5O5/c1-9(2)4-12(17)15(25)18-7-11(21)5-10(16)6-13(22)19-20(3)8-14(23)24/h9-12,21H,4-8,16-17H2,1-3H3,(H,18,25)(H,19,22)(H,23,24)/t10-,11-,12+/m1/s1
InChIKey
BRLOZZKKEWGIEL-UTUOFQBUSA-N
Compound name
2-[[[(3R,5R)-3-amino-6-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-hydroxyhexanoyl]amino]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

361.2325 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.23978 188.1
[M+Na]+ 384.22172 185.3
[M+NH4]+ 379.26632 214.0
[M+K]+ 400.19566 214.2
[M-H]- 360.22522 217.4
[M+Na-2H]- 382.20717 182.4
[M]+ 361.23195 184.8
[M]- 361.23305 184.8
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

patents stripe