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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 > asn-tyr-met
organooxygen compound > carboxamide > peptide > asn-tyr-met
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > asn-tyr-met
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > asn-tyr-met
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > asn-tyr-met

Preferred term

asn-tyr-met  

Type

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

Broader concept

charge

  • 0

formula

  • C18H26N4O6S

inchi

  • InChI=1S/C18H26N4O6S/c1-29-7-6-13(18(27)28)21-17(26)14(8-10-2-4-11(23)5-3-10)22-16(25)12(19)9-15(20)24/h2-5,12-14,23H,6-9,19H2,1H3,(H2,20,24)(H,21,26)(H,22,25)(H,27,28)/t12-,13-,14-/m0/s1

inchikey

  • NJPLPRFQLBZAMH-IHRRRGAJSA-N

mass

  • 426.490

monoisotopicmass

  • 426.15731

smiles

  • S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CC1=CC=C(O)C=C1)C(O)=O)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulanylbutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:160220

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