Chem
J-GLOBAL ID:200907009395713687   Nikkaji number:J1.704.187H

(R)-2-[(N-Butyryl-L-Tyr-L-Leu-)amino]-3-(4-hydroxyphenyl)-1-propanol

(R)-2-[(N-ブチリル-L-Tyr-L-Leu-)アミノ]-3-(4-ヒドロキシフェニル)-1-プロパノール
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: C28H39N3O6
Molecular formula furigana: C28-H39-N3-O6
Molecular weight: 513.635
InChI: InChI=1S/C28H39N3O6/c1-4-5-26(35)30-25(16-20-8-12-23(34)13-9-20)28(37)31-24(14-18(2)3)27(36)29-21(17-32)15-19-6-10-22(33)11-7-19/h6-13,18,21,24-25,32-34H,4-5,14-17H2,1-3H3,(H,29,36)(H,30,35)(H,31,37)/t21-,24+,25+/m1/s1
InChI key: NBNDDALPIFKGFD-ZODMCCGTSA-N
SMILES: CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)Cc1ccc(O)cc1
Systematic name  (3):
  • (R)-2-[(N-ブチリル-L-Tyr-L-Leu-)アミノ]-3-(4-ヒドロキシフェニル)-1-プロパノール
  • (2S)-2-[(2S)-2-ブタンアミド-3-(4-ヒドロキシフェニル)プロパンアミド]-N-[(2R)-1-ヒドロキシ-3-(4-ヒドロキシフェニル)プロパン-2-イル]-4-メチルペンタンアミド
  • (2S)-2-[(2S)-2-butanamido-3-(4-hydroxyphenyl)propanamido]-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-4-methylpentanamide
Other name (1):
  • (R)-2-[(N-Butyryl-L-Tyr-L-Leu-)amino]-3-(4-hydroxyphenyl)-1-propanol
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