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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > spumigin k
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > spumigin k
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > spumigin k
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > spumigin k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > spumigin k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > spumigin k
organooxygen compound > carboxamide > n-acyl-amino acid > spumigin k
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > spumigin k

Preferred term

spumigin k  

Type

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

Broader concept

charge

  • 0

formula

  • C31H42N6O7

inchi

  • InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1

inchikey

  • CUYCVKFWPTWZJN-XLOUHILKSA-N

mass

  • 610.712

monoisotopicmass

  • 610.31150

smiles

  • O=C(N[C@H]1C(O)N(C(=N)N)CCC1)[C@H]2N(C(=O)[C@H](NC(=O)C(O)CCC3=CC=C(O)C=C3)CC4=CC=C(O)C=C4)CC(C2)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-N-[(3R)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221569

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