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Concept information

Preferred term

برینتونامید B  

Type

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

Broader concept

charge

  • 0

formula

  • C38H58N6O9

inchi

  • InChI=1S/C38H58N6O9/c1-23(2)20-29(41(6)31(45)22-39-33(47)27-16-12-18-43(27)37(51)32(46)24(3)4)34(48)40-25(5)35(49)42(7)30(21-26-14-10-9-11-15-26)36(50)44-19-13-17-28(44)38(52)53-8/h9-11,14-15,23-25,27-30,32,46H,12-13,16-22H2,1-8H3,(H,39,47)(H,40,48)/t25-,27-,28-,29-,30+,32+/m0/s1

inchikey

  • JQMRBQCVOQBYQU-BANKALSUSA-N

mass

  • 742.915

monoisotopicmass

  • 742.42653

smiles

  • O=C(OC)[C@H]1N(C(=O)[C@H](N(C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)CNC(=O)[C@H]2N(C(=O)[C@H](O)C(C)C)CCC2)C)CC(C)C)C)C)CC3=CC=CC=C3)CCC1

subset

  • 2_STAR

synonym EXACT

  • methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2R)-2-hydroxy-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214577

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