Chem
J-GLOBAL ID:200907091512238659   Nikkaji number:J2.231.635D

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

(S)-2-[(N-ヘプタノイル-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: C30H41N3O6
Molecular formula furigana: C30-H41-N3-O6
Molecular weight: 539.673
InChI: InChI=1S/C30H41N3O6/c1-4-5-6-7-8-27(37)32-26(18-22-11-15-25(36)16-12-22)29(38)33-28(20(2)3)30(39)31-23(19-34)17-21-9-13-24(35)14-10-21/h9-16,19-20,23,26,28,35-36H,4-8,17-18H2,1-3H3,(H,31,39)(H,32,37)(H,33,38)/t23-,26-,28-/m0/s1
InChI key: HGWSNWDKYMZWAV-WSHBGFIESA-N
SMILES: CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C=O
Systematic name  (3):
  • (S)-2-[(N-ヘプタノイル-L-Tyr-L-Val-)アミノ]-3-(4-ヒドロキシフェニル)プロパナール
  • N-[(1S)-2-(4-ヒドロキシフェニル)-1-{[(1S)-1-{[(2S)-1-(4-ヒドロキシフェニル)-3-オキソプロパン-2-イル]カルバモイル}-2-メチルプロピル]カルバモイル}エチル]ヘプタンアミド
  • N-[(1S)-2-(4-hydroxyphenyl)-1-{[(1S)-1-{[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]heptanamide
Other name (1):
  • (S)-2-[(N-Heptanoyl-L-Tyr-L-Val-)amino]-3-(4-hydroxyphenyl)propanal
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