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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 > l-744832

Preferred term

l-744832  

Type

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

Broader concept

charge

  • 0

formula

  • C26H45N3O6S2

has_role

inchi

  • InChI=1S/C26H45N3O6S2/c1-6-19(4)23(28-15-21(27)17-36)16-34-24(14-20-10-8-7-9-11-20)25(30)29-22(12-13-37(5,32)33)26(31)35-18(2)3/h7-11,18-19,21-24,28,36H,6,12-17,27H2,1-5H3,(H,29,30)/t19-,21+,22-,23+,24-/m0/s1

inchikey

  • PGOKBMWPBDRDGN-IBXSQZDTSA-N

mass

  • 559.780

monoisotopicmass

  • 559.27498

smiles

  • CC[C@@](C)([H])[C@](CO[C@](CC1=CC=CC=C1)([H])/C(=N/[C@](CCS(C)(=O)=O)([H])C(=O)OC(C)C)/O)([H])NC[C@@](CS)([H])N

subset

  • 2_STAR

synonym EXACT

  • propan-2-yl (2S)-2-[[(2S)-2-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232858

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