skip to main content

Chemistry, part 1

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(2s,4ar,12as)-8-[(2-chlorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-(3-morpholin-4-ylpropyl)acetamide

Preferred term

2-[(2s,4ar,12as)-8-[(2-chlorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-(3-morpholin-4-ylpropyl)acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H38ClN5O6

inchi

  • InChI=1S/C30H38ClN5O6/c1-35-25-9-8-21(18-28(37)32-11-4-12-36-13-15-40-16-14-36)42-27(25)19-41-26-10-7-20(17-22(26)29(35)38)33-30(39)34-24-6-3-2-5-23(24)31/h2-3,5-7,10,17,21,25,27H,4,8-9,11-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t21-,25+,27+/m0/s1

inchikey

  • MRBZRZGKCPBOJB-MAFNXUKGSA-N

mass

  • 600.107

monoisotopicmass

  • 599.25106

smiles

  • CN1[C@@H]2CC[C@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)CC(=O)NCCCN5CCOCC5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98137

Download this concept:

RDF/XML TURTLE JSON-LD