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Chemistry, part 1

Content language

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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 > pro-cys-thr
organooxygen compound > carboxamide > peptide > pro-cys-thr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > pro-cys-thr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > pro-cys-thr
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > pro-cys-thr

Preferred term

pro-cys-thr  

Type

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

Broader concept

charge

  • 0

formula

  • C12H21N3O5S

inchi

  • InChI=1S/C12H21N3O5S/c1-6(16)9(12(19)20)15-11(18)8(5-21)14-10(17)7-3-2-4-13-7/h6-9,13,16,21H,2-5H2,1H3,(H,14,17)(H,15,18)(H,19,20)/t6-,7+,8+,9+/m1/s1

inchikey

  • XJROSHJRQTXWAE-XGEHTFHBSA-N

mass

  • 319.380

monoisotopicmass

  • 319.12019

smiles

  • SC[C@H](NC(=O)[C@H]1NCCC1)C(=O)N[C@@H]([C@H](O)C)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3R)-3-hydroxy-2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulanylpropanoyl]amino]butanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:162210

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