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Amycin B

CAT: 0931-TN9176-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9176-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129313-99-1
Target
Antifungal, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Amycin B is a natural analogue of Niphimycin, exhibiting activity against Gram-positive bacteria and fungi.
Smiles
O=C1OC(C(C=CC=CC(O)C(C)C(O)CC(O)CC(O)CC2OC(O)(CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C=CC(O)C1C)C)C(O)C(O)C2)C)C(C)CC(C)CCCC=CCCCNC(=N)NC
Molecular Formula
C56H101N3O15
Molecular Weight
1056.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amycin B

1-[(E)-11-[(10Z,12E,20E)-3,5,7,9,19,23,25,27,31,33,34,35-dodecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-15-yl]-9-methyldodec-4-enyl]-2-methylguanidine has been reported in Streptomyces with data available.

CAS Number129313-99-1
PubChem CID139588926
IUPAC Name1-[(E)-11-[(10Z,12E,20E)-3,5,7,9,19,23,25,27,31,33,34,35-dodecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-15-yl]-9-methyldodec-4-enyl]-2-methylguanidine
Molecular FormulaC56H101N3O15
Molecular Weight1056.4
XLogP4.7
Topological Polar Surface Area329
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Heavy Atom Count74
Formal Charge0
Complexity1720
SMILES
CC1CCC(C(C(CC(C(/C=C/C(C(C(=O)OC(C(/C=C/C=C\C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)C)O)O)C)O
InChI
InChI=1S/C56H101N3O15/c1-33(18-14-12-10-11-13-17-25-59-55(57)58-9)26-37(5)52-36(4)19-15-16-20-44(62)38(6)48(66)29-42(61)27-41(60)28-43-30-50(68)53(70)56(72,74-43)32-51(69)35(3)22-23-45(63)39(7)49(67)31-47(65)34(2)21-24-46(64)40(8)54(71)73-52/h10-11,15-16,19-21,24,33-53,60-70,72H,12-14,17-18,22-23,25-32H2,1-9H3,(H3,57,58,59)/b11-10+,19-15+,20-16-,24-21+
InChIKey
PPUSZMZQPGFMIJ-GDJPUZDLSA-N
Chemical Structure
2D Structure
2D structure of Amycin B
CAS: 129313-99-1
CID: 139588926
Formula: C56H101N3O15
MW: 1056.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1056.4
XLogP34.7
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count12
Exact Mass1055.72326952
Monoisotopic Mass1055.72326952
Topological Polar Surface Area329 Ų
Heavy Atom Count74
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count22
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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