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2′′-N-Formimidoylistamycin A

CAT: 0804-HY-N14508Size: 1 EachDry Ice: NoHazardous: No
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Description
2' -N-Formimidoylistamycin A (Istamycin A3) is found in Streptomyces tenjimariensis[1].
CAS Number
81202-83-7
Product Name Alternative
Istamycin A3
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CNC=N)N(C)[C@H]1[C@H]([C@@H]([C@H](C[C@@H]1OC)N)O[C@H]2O[C@@H](CC[C@H]2N)CNC)O
Molecular Formula
C18H36N6O5
Molecular Weight
416.52
References & Citations
[1]S Kondo, et al. 2"-N-formimidoylistamycin A and B produced by Streptomyces tenjimariensis. J Antibiot (Tokyo) . 1982 Aug;35 (8) :1104-6.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2''-Formimidoylistamycin A

N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide has been reported in Streptomyces tenjimariensis with data available.

CAS Number81202-83-7
PubChem CID196189
IUPAC NameN-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
Molecular FormulaC18H36N6O5
Molecular Weight416.5
XLogP-3.2
Topological Polar Surface Area171
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity553
SMILES
CNCC1CCC(C(O1)OC2CC(C(C(C2N(C)C(=O)CN=CN)O)OC)N)N
InChI
InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-13-6-12(21)17(27-3)16(26)15(13)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)
InChIKey
YHLFRQHBLKQPRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2''-Formimidoylistamycin A
CAS: 81202-83-7
CID: 196189
Formula: C18H36N6O5
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP3-3.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass416.27471827
Monoisotopic Mass416.27471827
Topological Polar Surface Area171 Ų
Heavy Atom Count29
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19266165-012′′-N-Formimidoylistamycin A
GTR19266191-012′′-N-Formimidoylistamycin B
sc-228802N, N', N''- (2,2',2''-Nitrilotriethyl) tris (2,2,2-trifluoroacetamide)
TRC-D679295-250MGN,N-Diethyl-2,2,2-trifluoroacetamide
OR23637N, N-diallyl-2,2,2-trichloroacetamide
PC51372-012,2,2-Trifluoroethyl N, N-dimethylcarbamate
PC4048-01N, N-Diethyl-2,2,2-trifluoroacetamide
N470597N,N-Dimethylacetamide-2,2,2-d3
RG-T180911-012,2,2-Trichloro-N, N-Dimethylacetamide
PC108818-01N, N-Diallyl-2,2,2-Trifluoroacetamide

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