Chem
J-GLOBAL ID:200907001884848209   Nikkaji number:J588.318K

2,6-Dimethyl-L-Tyr-N-allyl-D-Ala-(3-phenylpropyl)NH2

2,6-ジメチル-L-Tyr-N-アリル-D-Ala-(3-フェニルプロピル)NH2
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: C26H35N3O3
Molecular formula furigana: C26-H35-N3-O3
Molecular weight: 437.584
InChI: InChI=1S/C26H35N3O3/c1-5-14-29(20(4)25(31)28-13-9-12-21-10-7-6-8-11-21)26(32)24(27)17-23-18(2)15-22(30)16-19(23)3/h5-8,10-11,15-16,20,24,30H,1,9,12-14,17,27H2,2-4H3,(H,28,31)/t20-,24+/m1/s1
InChI key: JJTYOLGLWKRDFD-YKSBVNFPSA-N
SMILES: C[C@@H](N(CC=C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1
Systematic name  (3):
  • 2,6-ジメチル-L-Tyr-N-アリル-D-Ala-(3-フェニルプロピル)NH2
  • (2S)-2-アミノ-3-(4-ヒドロキシ-2,6-ジメチルフェニル)-N-[(1R)-1-[(3-フェニルプロピル)カルバモイル]エチル]-N-(プロパ-2-エン-1-イル)プロパンアミド
  • (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1R)-1-[(3-phenylpropyl)carbamoyl]ethyl]-N-(prop-2-en-1-yl)propanamide
Other name (1):
  • 2,6-Dimethyl-L-Tyr-N-allyl-D-Ala-(3-phenylpropyl)NH2
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