Chem
J-GLOBAL ID：200907042400852078   Nikkaji number：J2.231.656G

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

(S)-2-[[N-(1-ナフチルアセチル)-O-メチル-L-Tyr-L-Val-]アミノ]-3-(4-メトキシフェニル)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： C37H41N3O6
Molecular formula furigana： C37-H41-N3-O6
Molecular weight： 623.750
InChI： InChI=1S/C37H41N3O6/c1-24(2)35(37(44)38-29(23-41)20-25-12-16-30(45-3)17-13-25)40-36(43)33(21-26-14-18-31(46-4)19-15-26)39-34(42)22-28-10-7-9-27-8-5-6-11-32(27)28/h5-19,23-24,29,33,35H,20-22H2,1-4H3,(H,38,44)(H,39,42)(H,40,43)/t29-,33-,35-/m0/s1
InChI key： IJDYUMDIJFFMQQ-YDACMNAQSA-N
SMILES： COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)Cc2cccc3ccccc23)C(C)C)C=O)cc1
Systematic name  (3)：
  • (S)-2-[[N-(1-ナフチルアセチル)-O-メチル-L-Tyr-L-Val-]アミノ]-3-(4-メトキシフェニル)プロパナール
  • (2S)-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]-N-[(2S)-1-(4-メトキシフェニル)-3-オキソプロパン-2-イル]-3-メチルブタンアミド
  • (2S)-2-[(2S)-3-(4-methoxyphenyl)-2-[2-(naphthalen-1-yl)acetamido]propanamido]-N-[(2S)-1-(4-methoxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Other name (1)：
  • (S)-2-[[N-(1-Naphthylacetyl)-O-methyl-L-Tyr-L-Val-]amino]-3-(4-methoxyphenyl)propanal
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