CID 6447693

Antibiotic sf 1902a4a

Structural Information

Molecular Formula
C33H59N5O9
SMILES
CCCC/C=C/CC(=O)C(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCCO
InChI
InChI=1S/C33H59N5O9/c1-9-11-12-13-14-15-26(42)22(6)33(47)38(8)25(18-20(3)4)30(44)36-27(21(5)10-2)32(46)35-24(19-40)29(43)37-28(23(7)41)31(45)34-16-17-39/h13-14,20-25,27-28,39-41H,9-12,15-19H2,1-8H3,(H,34,45)(H,35,46)(H,36,44)(H,37,43)/b14-13+/t21-,22?,23+,24+,25+,27+,28+/m1/s1
InChIKey
PKTVXHXGKXMJDY-TZJSNGEMSA-N
Compound name
(E)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2-dimethyl-3-oxodec-5-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

669.4313 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.43858 264.0
[M+Na]+ 692.42052 277.0
[M+NH4]+ 687.46512 278.0
[M+K]+ 708.39446 276.7
[M-H]- 668.42402 281.6
[M+Na-2H]- 690.40597 273.2
[M]+ 669.43075 272.1
[M]- 669.43185 272.1
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