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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-(/{2,3,4,6-tetrahydroxy-5-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl/}sulfanyl)ethyl/}-c-hydroxycarbonimidoyl)butanoic acid
organooxygen compound > carboxamide > peptide > 2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-(/{2,3,4,6-tetrahydroxy-5-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl/}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-(/{2,3,4,6-tetrahydroxy-5-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl/}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-(/{2,3,4,6-tetrahydroxy-5-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl/}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-(/{2,3,4,6-tetrahydroxy-5-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl/}sulfanyl)ethyl/}-c-hydroxycarbonimidoyl)butanoic acid

Preferred term

2-amino-4-(/{1-[(carboxymethyl)-c-hydroxycarbonimidoyl]-2-(/{2,3,4,6-tetrahydroxy-5-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl/}sulfanyl)ethyl/}-c-hydroxycarbonimidoyl)butanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H27N3O12S

inchi

  • InChI=1S/C25H27N3O12S/c26-13(25(39)40)6-8-16(31)28-14(24(38)27-9-17(32)33)10-41-23-20(35)18(19(34)21(36)22(23)37)15(30)7-3-11-1-4-12(29)5-2-11/h1-5,7,13-14,29,34-37H,6,8-10,26H2,(H,27,38)(H,28,31)(H,32,33)(H,39,40)/b7-3+

inchikey

  • BBQSCWJFXGSQHB-XVNBXDOJSA-N

mass

  • 593.560

monoisotopicmass

  • 593.13154

smiles

  • S(CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C1=C(O)C(=C(O)C(O)=C1O)C(=O)/C=C/C2=CC=C(O)C=C2

subset

  • 2_STAR

synonym EXACT

  • 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[2,3,4,6-tetrahydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]sulanylpropan-2-yl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168705

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