CID 3053232

Antibiotic sf 1902a5

Structural Information

Molecular Formula
C34H61N5O9
SMILES
CCCCCCCC[C@H](C(=C)C(=O)N(C)[C@](CC(C)C)(C=O)C(=O)CNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)CC)N)O
InChI
InChI=1S/C34H61N5O9/c1-9-11-12-13-14-15-16-26(43)23(6)33(48)39(8)34(20-41,17-21(3)4)27(44)18-36-32(47)29(24(7)42)38-30(45)25(19-40)37-31(46)28(35)22(5)10-2/h20-22,24-26,28-29,40,42-43H,6,9-19,35H2,1-5,7-8H3,(H,36,47)(H,37,46)(H,38,45)/t22-,24+,25+,26-,28+,29+,34-/m1/s1
InChIKey
BINCSGXJKYDHCL-GUOYJVKZSA-N
Compound name
(3R)-N-[(3R)-1-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-formyl-5-methyl-2-oxohexan-3-yl]-3-hydroxy-N-methyl-2-methylideneundecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

683.4469 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 684.45418 254.8
[M+Na]+ 706.43612 268.4
[M+NH4]+ 701.48072 268.8
[M+K]+ 722.41006 267.4
[M-H]- 682.43962 271.9
[M+Na-2H]- 704.42157 264.6
[M]+ 683.44635 262.8
[M]- 683.44745 262.8
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

patents stripe