skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > chlorine molecular entity > organochlorine compound > 2-[(2r,4ar,12ar)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organochlorine compound > 2-[(2r,4ar,12ar)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(4-chlorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organochlorine compound > 2-[(2r,4ar,12ar)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(4-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-[(2r,4ar,12ar)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(4-chlorophenyl)methyl]acetamide

Preferred term

2-[(2r,4ar,12ar)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[(4-chlorophenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H32ClN5O6

inchi

  • InChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23-,25+/m1/s1

inchikey

  • VDMGESCZGFUZFC-PFATUAPWSA-N

mass

  • 582.048

monoisotopicmass

  • 581.20411

smiles

  • CC1=C(C(=NO1)C)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@@H](CC[C@@H](O4)CC(=O)NCC5=CC=C(C=C5)Cl)N(C3=O)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100331

Download this concept:

RDF/XML TURTLE JSON-LD