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Concept information

Preferred term

آهپاتینین Ac  

Type

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

Broader concept

charge

  • 0

formula

  • C34H55N5O9

inchi

  • InChI=1S/C34H55N5O9/c1-18(2)14-24(38-33(47)31(20(5)6)39-34(48)30(19(3)4)36-22(8)40)26(41)16-28(43)35-21(7)32(46)37-25(27(42)17-29(44)45)15-23-12-10-9-11-13-23/h9-13,18-21,24-27,30-31,41-42H,14-17H2,1-8H3,(H,35,43)(H,36,40)(H,37,46)(H,38,47)(H,39,48)(H,44,45)/t21-,24-,25-,26-,27-,30-,31-/m0/s1

inchikey

  • MANPMNTVYKVAEV-DZBYZWQYSA-N

mass

  • 677.840

monoisotopicmass

  • 677.39998

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-5-phenylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224850

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