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

Preferred term

2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-[(1-hydroxy-3-oxo-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

  • C19H25N3O8S

inchi

  • InChI=1S/C19H25N3O8S/c20-12(19(29)30)6-7-15(24)22-13(18(28)21-8-16(25)26)10-31-14(9-23)17(27)11-4-2-1-3-5-11/h1-5,9,12-14,17,27H,6-8,10,20H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)

inchikey

  • PNVFIGNJXUQATQ-UHFFFAOYSA-N

mass

  • 455.480

monoisotopicmass

  • 455.13624

smiles

  • S(CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(C(O)C1=CC=CC=C1)C=O

subset

  • 2_STAR

synonym EXACT

  • 2-amino-5-[[1-(carboxymethylamino)-3-(1-hydroxy-3-oxo-1-phenylpropan-2-yl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186803

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