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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 > ggti 298 trifluoroacetate

Preferred term

ggti 298 trifluoroacetate  

Type

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

Broader concept

charge

  • 0

formula

  • C27H33N3O3S.C2HF3O2

has_role

inchi

  • InChI=1S/C27H33N3O3S.C2HF3O2/c1-17(2)13-25(27(32)33-3)30-26(31)23-12-11-20(29-15-19(28)16-34)14-24(23)22-10-6-8-18-7-4-5-9-21(18)22;3-2(4,5)1(6)7/h4-12,14,17,19,25,29,34H,13,15-16,28H2,1-3H3,(H,30,31);(H,6,7)/t19-,25+;/m1./s1

inchikey

  • WALKWJPZELDSKT-UFABNHQSSA-N

mass

  • 593.660

monoisotopicmass

  • 593.21713

smiles

  • CC(C)C[C@@]([H])(C(=O)OC)/N=C(/C=1C=CC(=CC1C2=CC=CC3=CC=CC=C32)NC[C@@](CS)([H])N)/O.C(C(F)(F)F)(=O)O

subset

  • 2_STAR

synonym EXACT

  • methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate.2,2,2-trifluoroacetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232872

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