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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > gluten exorphin a5

Preferred term

gluten exorphin a5  

Type

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

Broader concept

charge

  • 0

formula

  • C29H37N5O9

inchi

  • InChI=1S/C29H37N5O9/c1-16(35)25(29(42)43)33-27(40)23-3-2-12-34(23)28(41)22(14-18-6-10-20(37)11-7-18)32-26(39)21(31-24(38)15-30)13-17-4-8-19(36)9-5-17/h4-11,16,21-23,25,35-37H,2-3,12-15,30H2,1H3,(H,31,38)(H,32,39)(H,33,40)(H,42,43)/t16-,21+,22+,23+,25+/m1/s1

inchikey

  • SBTRTGWXCQVLKM-VHEHYOFYSA-N

mass

  • 599.641

monoisotopicmass

  • 599.25913

smiles

  • O=C(N1[C@@H](CCC1)C(=O)N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC2=CC=C(O)C=C2)CC3=CC=C(O)C=C3

subset

  • 2_STAR

synonym EXACT

  • (2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187780

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