CID 3070885

Antibiotic sf 2132

Structural Information

Molecular Formula
C30H52N12O10
SMILES
CC(C)CC(C(=O)N/C(=C(\C)/COC(=O)N)/C(=O)NC(CO)C(=O)O)NC(=O)C1CCC=NN1C(=O)C(C(C)N)NC(=O)CC(CCN=C(N)N)N
InChI
InChI=1S/C30H52N12O10/c1-14(2)10-18(24(45)41-22(15(3)13-52-30(35)51)26(47)39-19(12-43)28(49)50)38-25(46)20-6-5-8-37-42(20)27(48)23(16(4)31)40-21(44)11-17(32)7-9-36-29(33)34/h8,14,16-20,23,43H,5-7,9-13,31-32H2,1-4H3,(H2,35,51)(H,38,46)(H,39,47)(H,40,44)(H,41,45)(H,49,50)(H4,33,34,36)/b22-15+
InChIKey
AKVNGLSWBXOUNY-PXLXIMEGSA-N
Compound name
2-[[(E)-2-[[2-[[2-[3-amino-2-[[3-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoyl]-4,5-dihydro-3H-pyridazine-3-carbonyl]amino]-4-methylpentanoyl]amino]-4-carbamoyloxy-3-methylbut-2-enoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

740.39294 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 741.40022 262.6
[M+Na]+ 763.38216 255.0
[M-H]- 739.38566 262.9
[M+NH4]+ 758.42676 262.1
[M+K]+ 779.35610 255.1
[M+H-H2O]+ 723.39020 239.6
[M+HCOO]- 785.39114 262.5
[M+CH3COO]- 799.40679 265.2
[M+Na-2H]- 761.36761 300.5
[M]+ 740.39239 294.4
[M]- 740.39349 294.4
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

patents stripe