Chem
J-GLOBAL ID：200907035705203464   Nikkaji number：J1.308.114J

OM-99-2

OM-99-2
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H64N8O14
Molecular formula furigana： C41-H64-N8-O14
Molecular weight： 893.005
InChI： InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1
InChI key： NIOCOJFPGCXNKL-ZKZXETMPSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (4)：
  • L-Glu-L-Val-L-Asn-[(2R,4S,5S)-2,7-ジメチル-4-ヒドロキシ-5-アミノ*オクタノイル]-L-Ala-L-Glu-L-Phe-OH
  • N-[(2R,4S,5S)-2-メチル-4-ヒドロキシ-5-[(L-Glu-L-Val-L-Asn-)アミノ]-7-メチルオクタノイル]-L-Ala-L-Glu-L-Phe-OH
  • (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-4-カルボキシブタンアミド]-3-メチルブタンアミド]-3-カルバモイルプロパンアミド]-4-ヒドロキシ-2,7-ジメチルオクタンアミド]プロパンアミド]-4-{[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル}ブタン酸
  • (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid
Other name (4)：
  • L-Glu-L-Val-L-Asn-[(2R,4S,5S)-2,7-Dimethyl-4-hydroxy-5-amino*octanoyl]-L-Ala-L-Glu-L-Phe-OH
  • N-[(2R,4S,5S)-2-Methyl-4-hydroxy-5-[(L-Glu-L-Val-L-Asn-)amino]-7-methyloctanoyl]-L-Ala-L-Glu-L-Phe-OH
  • OM99-2
  • OM-99-2
Thsaurus map：
Thesaurus Map

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