Chem
J-GLOBAL ID：200907048806262342   Nikkaji number：J2.231.626E

(S)-2-[[N-(Phenylacetyl)-L-Tyr-L-Val-]amino]-3-(4-hydroxyphenyl)propanal

(S)-2-[[N-(フェニルアセチル)-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： C31H35N3O6
Molecular formula furigana： C31-H35-N3-O6
Molecular weight： 545.636
InChI： InChI=1S/C31H35N3O6/c1-20(2)29(31(40)32-24(19-35)16-22-8-12-25(36)13-9-22)34-30(39)27(17-23-10-14-26(37)15-11-23)33-28(38)18-21-6-4-3-5-7-21/h3-15,19-20,24,27,29,36-37H,16-18H2,1-2H3,(H,32,40)(H,33,38)(H,34,39)/t24-,27-,29-/m0/s1
InChI key： XTGWWZCPEOEIIX-KMDNEMHUSA-N
SMILES： CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O
Systematic name  (3)：
  • (S)-2-[[N-(フェニルアセチル)-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)-2-[(2S)-3-(4-ヒドロキシフェニル)-2-(2-フェニルアセトアミド)プロパンアミド]-N-[(2S)-1-(4-ヒドロキシフェニル)-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-hydroxyphenyl)-2-(2-phenylacetamido)propanamido]-N-[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Other name (1)：
  • (S)-2-[[N-(Phenylacetyl)-L-Tyr-L-Val-]amino]-3-(4-hydroxyphenyl)propanal
Thsaurus map：
Thesaurus Map

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