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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > 2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-/{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl/}ethyl/}-c-hydroxycarbonimidoyl)butanoic acid
organooxygen compound > carboxamide > peptide > 2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-/{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl/}ethyl/}-c-hydroxycarbonimidoyl)butanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > 2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-/{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl/}ethyl/}-c-hydroxycarbonimidoyl)butanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > 2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-/{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl/}ethyl/}-c-hydroxycarbonimidoyl)butanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > 2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-/{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl/}ethyl/}-c-hydroxycarbonimidoyl)butanoic acid

Preferred term

2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-/{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl/}ethyl/}-c-hydroxycarbonimidoyl)butanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C19H27N3O9S

inchi

  • InChI=1S/C19H27N3O9S/c20-11(19(30)31)5-6-15(25)22-12(18(29)21-7-16(26)27)9-32-14(8-23)17(28)10-3-1-2-4-13(10)24/h1-4,11-12,14,17,23-24,28H,5-9,20H2,(H,21,29)(H,22,25)(H,26,27)(H,30,31)

inchikey

  • LPLOTUHHDCJLRU-UHFFFAOYSA-N

mass

  • 473.500

monoisotopicmass

  • 473.14680

smiles

  • S(C(C(O)C=1C(O)=CC=CC1)CO)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-amino-5-[[1-(carboxymethylamino)-3-[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190892

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