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Chemistry, part 1

Content language

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C31H33ClN4O5

inchi

  • InChI=1S/C31H33ClN4O5/c1-19-6-5-8-21(14-19)34-31(39)35-22-10-13-27-24(15-22)30(38)36(2)26-12-11-23(41-28(26)18-40-27)16-29(37)33-17-20-7-3-4-9-25(20)32/h3-10,13-15,23,26,28H,11-12,16-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26-,28-/m0/s1

inchikey

  • SECMWWJMRQEFAV-WSHBGFIESA-N

mass

  • 577.072

monoisotopicmass

  • 576.21395

smiles

  • CC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC[C@H]4[C@H](CC[C@H](O4)CC(=O)NCC5=CC=CC=C5Cl)N(C3=O)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97573

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