Chem
J-GLOBAL ID：200907027500705235   Nikkaji number：J1.412.065C

L-685458

L-685458
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： C39H52N4O6
Molecular formula furigana： C39-H52-N4-O6
Molecular weight： 672.867
InChI： InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1
InChI key： MURCDOXDAHPNRQ-ZJKZPDEISA-N
SMILES： CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (4)：
  • N-[(2R,4R,5S)-2-ベンジル-4-ヒドロキシ-5-[(tert-ブチルオキシカルボニル)アミノ]-6-フェニルヘキサノイル]-L-Leu-L-Phe-NH2
  • N-[(2R,4R,5S)-2-ベンジル-4-ヒドロキシ-5-(tert-ブチルオキシカルボニルアミノ)-6-フェニルヘキサノイル]-L-Leu-L-Phe-NH2
  • tert-ブチル N-[(2S,3R,5R)-5-ベンジル-5-{[(1S)-1-{[(1S)-1-カルバモイル-2-フェニルエチル]カルバモイル}-3-メチルブチル]カルバモイル}-3-ヒドロキシ-1-フェニルペンタン-2-イル]カルバマート
  • tert-butyl N-[(2S,3R,5R)-5-benzyl-5-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate
Other name (3)：
  • N-[(2R,4R,5S)-2-Benzyl-4-hydroxy-5-[(tert-butyloxycarbonyl)amino]-6-phenylhexanoyl]-L-Leu-L-Phe-NH2
  • L-685458
  • N-[(2R,4R,5S)-2-Benzyl-4-hydroxy-5-(tert-butyloxycarbonylamino)-6-phenylhexanoyl]-L-Leu-L-Phe-NH2
Thsaurus map：
Thesaurus Map

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