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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

DPDPE  

Type

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

charge

  • 0

formula

  • C30H39N5O7S2

inchi

  • InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1

inchikey

  • MCMMCRYPQBNCPH-WMIMKTLMSA-N

mass

  • 645.79000

monoisotopicmass

  • 645.22909

smiles

  • CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (4S,7S,13S)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(L-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73356

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