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Concept information

Preferred term

Simplicilliumtide E  

Type

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

Broader concept

charge

  • 0

formula

  • C25H39N3O6

inchi

  • InChI=1S/C25H39N3O6/c1-8-16(4)22(26-17(5)29)24(32)28(6)21(14-18-9-11-19(30)12-10-18)23(31)27-20(13-15(2)3)25(33)34-7/h9-12,15-16,20-22,30H,8,13-14H2,1-7H3,(H,26,29)(H,27,31)/t16-,20+,21-,22+/m1/s1

inchikey

  • USCBZDVDPQNLLA-ZJMJOCHXSA-N

mass

  • 477.602

monoisotopicmass

  • 477.28389

smiles

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

subset

  • 2_STAR

synonym EXACT

  • methyl (2S)-2-[[(2R)-2-[[(2S,3R)-2-acetamido-3-methylpentanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202370

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