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Concept information

Preferred term

FJ120DPB  

Type

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

Broader concept

charge

  • 0

formula

  • C38H52N6O10

inchi

  • InChI=1S/C38H52N6O10/c1-21(2)31(42-35(50)32(23(4)45)40-24(5)46)37(52)44-18-10-13-29(44)33(48)41-28(19-26-14-16-27(47)17-15-26)36(51)43(6)30(20-25-11-8-7-9-12-25)34(49)39-22(3)38(53)54/h7-9,11-12,14-17,21-23,28-32,45,47H,10,13,18-20H2,1-6H3,(H,39,49)(H,40,46)(H,41,48)(H,42,50)(H,53,54)/t22-,23+,28-,29-,30-,31+,32-/m0/s1

inchikey

  • ACUOSWBPCVKELZ-SDUBJODWSA-N

mass

  • 752.866

monoisotopicmass

  • 752.37449

smiles

  • O=C(N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O)C)CC1=CC=CC=C1)C)CC2=CC=C(O)C=C2)[C@H]3N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)C)[C@H](O)C)C(C)C)CCC3

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-phenylpropanoyl]amino]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208775

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