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Chemistry, part 2

Content language

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Concept information

organooxygen compound > polyketide > tetracyclines > (4s,4as,5ar,12as)-9-[[2-(tert-butylamino)-1-oxoethyl]amino]-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Preferred term

(4s,4as,5ar,12as)-9-[[2-(tert-butylamino)-1-oxoethyl]amino]-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide  

Type

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

Broader concept

charge

  • 0

formula

  • C29H39N5O8

inchi

  • InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,18,20-21,31,36,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,18?,20?,21-,29-/m0/s1

inchikey

  • CGZOGNUFXMNYEI-UDUHKTKDSA-N

mass

  • 585.650

monoisotopicmass

  • 585.27986

smiles

  • CC(C)(C)NCC(=O)NC1=C(C2=C(C[C@H]3C[C@H]4[C@@H](C(=O)C(C(=O)[C@]4(C(=O)C3C2=O)O)C(=O)N)N(C)C)C(=C1)N(C)C)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:125390

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