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

Preferred term

2-amino-4-(/{2-[(1-carboxy-2-hydroxy-2-phenylethyl)sulfanyl]-1-[(carboxymethyl)-c-hydroxycarbonimidoyl]ethyl/}-c-hydroxycarbonimidoyl)butanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C19H25N3O9S

inchi

  • InChI=1S/C19H25N3O9S/c20-11(18(28)29)6-7-13(23)22-12(17(27)21-8-14(24)25)9-32-16(19(30)31)15(26)10-4-2-1-3-5-10/h1-5,11-12,15-16,26H,6-9,20H2,(H,21,27)(H,22,23)(H,24,25)(H,28,29)(H,30,31)

inchikey

  • DFQJEOHFPWLUOY-UHFFFAOYSA-N

mass

  • 471.480

monoisotopicmass

  • 471.13115

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185970

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