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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-2-methyl-1-phenylpropan-2-yl)sulfanyl]ethyl/}-c-hydroxycarbonimidoyl)butanoic acid
organooxygen compound > carboxamide > peptide > 2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-[(1,3-dihydroxy-2-methyl-1-phenylpropan-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-2-methyl-1-phenylpropan-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-2-methyl-1-phenylpropan-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-2-methyl-1-phenylpropan-2-yl)sulfanyl]ethyl/}-c-hydroxycarbonimidoyl)butanoic acid

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C20H29N3O8S

inchi

  • InChI=1S/C20H29N3O8S/c1-20(11-24,17(28)12-5-3-2-4-6-12)32-10-14(18(29)22-9-16(26)27)23-15(25)8-7-13(21)19(30)31/h2-6,13-14,17,24,28H,7-11,21H2,1H3,(H,22,29)(H,23,25)(H,26,27)(H,30,31)

inchikey

  • ZXSAZPHZWHOEFQ-UHFFFAOYSA-N

mass

  • 471.530

monoisotopicmass

  • 471.16754

smiles

  • S(C(C(O)C1=CC=CC=C1)(CO)C)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-2-methyl-1-phenylpropan-2-yl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190848

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