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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > chlorine molecular entity > organochlorine compound > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(2-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(2-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organochlorine compound > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(2-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organohalogen compound > organochlorine compound > 2-[(3r,6ar,8r,10ar)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(2-chlorophenyl)methyl]acetamide

Preferred term

2-[(3r,6ar,8r,10ar)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(2-chlorophenyl)methyl]acetamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H28ClN3O4S

inchi

  • InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19-,20+/m1/s1

inchikey

  • VRNJYJIECLSBHX-LFGUQSLTSA-N

mass

  • 465.995

monoisotopicmass

  • 465.14891

smiles

  • C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102734

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