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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 > amino-acid derivative > glutamic acid derivative > ag 2034

Preferred term

ag 2034  

Type

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

Broader concept

charge

  • 0

formula

  • C18H21N5O6S2

inchi

  • InChI=1S/C18H21N5O6S2/c19-18-22-14-13(16(27)23-18)31-9(7-20-14)2-1-8-3-5-11(30-8)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,9-10H,1-2,4,6-7H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t9-,10-/m0/s1

inchikey

  • HHKAOUMVRGSKLS-UWVGGRQHSA-N

mass

  • 467.520

monoisotopicmass

  • 467.09333

smiles

  • S1[C@@H](CCC=2SC(=CC2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC=3N=C(NC(=O)C13)N

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176920

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