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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,4ar,12ar)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[2-(1-piperidinyl)ethyl]acetamide

Preferred term

2-[(2s,4ar,12ar)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-n-[2-(1-piperidinyl)ethyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C30H38ClN5O5

inchi

  • InChI=1S/C30H38ClN5O5/c1-35-25-11-10-23(18-28(37)32-13-16-36-14-3-2-4-15-36)41-27(25)19-40-26-12-9-22(17-24(26)29(35)38)34-30(39)33-21-7-5-20(31)6-8-21/h5-9,12,17,23,25,27H,2-4,10-11,13-16,18-19H2,1H3,(H,32,37)(H2,33,34,39)/t23-,25+,27-/m0/s1

inchikey

  • XIGYLWQKLZSYNZ-RELGLDOUSA-N

mass

  • 584.107

monoisotopicmass

  • 583.25615

smiles

  • CN1[C@@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl)CC(=O)NCCN5CCCCC5

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:99983

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