Chem
J-GLOBAL ID：200907020774395629   Nikkaji number：J2.231.652D

(R)-2-[[N-(1-Naphthylacetyl)-O-methyl-L-Tyr-L-Val-]amino]-3-(4-hydroxyphenyl)propanal

(R)-2-[[N-(1-ナフチルアセチル)-O-メチル-L-Tyr-L-Val-]アミノ]-3-(4-ヒドロキシフェニル)プロパナール
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： C36H39N3O6
Molecular formula furigana： C36-H39-N3-O6
Molecular weight： 609.723
InChI： InChI=1S/C36H39N3O6/c1-23(2)34(36(44)37-28(22-40)19-24-11-15-29(41)16-12-24)39-35(43)32(20-25-13-17-30(45-3)18-14-25)38-33(42)21-27-9-6-8-26-7-4-5-10-31(26)27/h4-18,22-23,28,32,34,41H,19-21H2,1-3H3,(H,37,44)(H,38,42)(H,39,43)/t28-,32+,34+/m1/s1
InChI key： ROOOPKPTTPSQLF-BPXOLTOFSA-N
SMILES： COc1ccc(C[C@H](NC(=O)Cc2cccc3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C=O)cc1
Systematic name  (3)：
  • (R)-2-[[N-(1-ナフチルアセチル)-O-メチル-L-Tyr-L-Val-]アミノ]-3-(4-ヒドロキシフェニル)プロパナール
  • (2S)-N-[(2R)-1-(4-ヒドロキシフェニル)-3-オキソプロパン-2-イル]-2-[(2S)-3-(4-メトキシフェニル)-2-[2-(ナフタレン-1-イル)アセトアミド]プロパンアミド]-3-メチルブタンアミド
  • (2S)-N-[(2R)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-[(2S)-3-(4-methoxyphenyl)-2-[2-(naphthalen-1-yl)acetamido]propanamido]-3-methylbutanamide
Other name (1)：
  • (R)-2-[[N-(1-Naphthylacetyl)-O-methyl-L-Tyr-L-Val-]amino]-3-(4-hydroxyphenyl)propanal
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