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Concept information

Preferred term

JBIR 78  

Type

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

Broader concept

charge

  • 0

formula

  • C40H55N7O12

inchi

  • InChI=1S/C40H55N7O12/c1-21(2)32(46-29(48)18-26-15-11-8-12-16-26)39(57)44-27(19-31(50)51)37(55)43-24(6)36(54)47-33(34(52)22(3)4)38(56)41-20-30(49)42-23(5)35(53)45-28(40(58)59)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,32-34,52H,17-20H2,1-6H3,(H,41,56)(H,42,49)(H,43,55)(H,44,57)(H,45,53)(H,46,48)(H,47,54)(H,50,51)(H,58,59)/t23-,24+,27-,28+,32+,33-,34+/m1/s1

inchikey

  • AYHQEXAHORNEMG-CGBMOQSMSA-N

mass

  • 825.917

monoisotopicmass

  • 825.39087

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3R)-4-[[(2S)-1-[[(2R,3S)-1-[[2-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203215

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