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Dihydroniphimycin

CAT: 0013-GTR19256157-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256157-01Size:10 mg
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Description
Dihydroniphimycin exhibits antifungal activity and is effective against yeasts and Gram-positive bacteria.
CAS Number
157536-03-3
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) CC (=O) OC1CC (O) CC (O) C (C) C (O) C=CC=CCC (OC (=O) C (C) C (O) CCC (C) C (O) C (C) C (O) C (C) C (O) CCC (C) C (O) CC2 (O) OC (CC (O) C2O) C1) C (C) CC (C) CCCC=CCCCNC (=N) NC
Molecular Formula
C59H105N3O18
Molecular Weight
1144.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-oxo-3-[[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid
CAS Number157536-03-3
PubChem CID162988130
IUPAC Name3-oxo-3-[[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid
Molecular FormulaC59H105N3O18
Molecular Weight1144.5
XLogP5.3
Topological Polar Surface Area372
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count16
Heavy Atom Count80
Formal Charge0
Complexity1910
SMILES
CC1CCC(C(C(C(C(C(CCC(C(C(=O)OC(CC=CC=CC(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C(C)CC(C)CCCC=CCCCNC(=NC)N)C)O)C)O)C)O)C)O
InChI
InChI=1S/C59H105N3O18/c1-34(19-15-12-10-11-13-18-26-62-58(60)61-9)27-37(4)51-21-17-14-16-20-45(64)38(5)48(67)29-42(63)28-43(78-53(72)32-52(70)71)30-44-31-49(68)56(75)59(77,80-44)33-50(69)35(2)22-24-46(65)39(6)55(74)41(8)54(73)36(3)23-25-47(66)40(7)57(76)79-51/h10-11,14,16-17,20,34-51,54-56,63-69,73-75,77H,12-13,15,18-19,21-33H2,1-9H3,(H,70,71)(H3,60,61,62)
InChIKey
QJBZWXDRESIVAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-oxo-3-[[5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,18,22,24,26,30-hexamethyl-15-[4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12-dien-3-yl]oxy]propanoic acid
CAS: 157536-03-3
CID: 162988130
Formula: C59H105N3O18
MW: 1144.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1144.5
XLogP35.3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count16
Exact Mass1143.73931351
Monoisotopic Mass1143.73931351
Topological Polar Surface Area372 Ų
Heavy Atom Count80
Formal Charge0
Complexity1910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count22
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14554Dihydroniphimycin

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