TNP-470

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Systematic / IUPAC Name: (3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl (chloroacetyl)carbamate

ID: Reference2775

Other Names: O-(Chloroacetylcarbamoyl)fumagillol;
(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-(2-chloroacetyl)carbamate ;
(Chloroacetyl)carbamic acid (3R,4S,5S,5R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester ;
Carbamic acid, (chloroacetyl), (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester

Formula: C19H28ClNO6

Class: Therapeutics/Prescription Drugs

Spectral Data

TNP-470 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 198
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/5/2015 8:53:30 AM
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Identificators

InChI InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
InChI Key MSHZHSPISPJWHW-PVDLLORBSA-N
Canonical SMILES CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)C
CAS 129298915
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Other Names O-(Chloroacetylcarbamoyl)fumagillol;
(3R,4S,5S,6R)-5-Methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl N-(2-chloroacetyl)carbamate ;
(Chloroacetyl)carbamic acid (3R,4S,5S,5R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester ;
Carbamic acid, (chloroacetyl), (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-butenyl)oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester

In Other Databases

PubChem 369976
DrugBank DB08633
ChemSpider 328427