Chem
J-GLOBAL ID：200907017719142320   Nikkaji number：J1.704.186J

(S)-2-[(N-Isovaleryl-L-Tyr-L-Val-)amino]-3-(4-hydroxyphenyl)-1-propanol

(S)-2-[(N-イソバレリル-L-Tyr-L-Val-)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/c1-17(2)13-25(35)30-24(15-20-7-11-23(34)12-8-20)27(36)31-26(18(3)4)28(37)29-21(16-32)14-19-5-9-22(33)10-6-19/h5-12,17-18,21,24,26,32-34H,13-16H2,1-4H3,(H,29,37)(H,30,35)(H,31,36)/t21-,24-,26-/m0/s1
InChI key： KKZGSAOHZNZFFH-CVJWPJSTSA-N
SMILES： CC(C)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CO)Cc1ccc(O)cc1
Systematic name  (4)：
  • (S)-2-[(N-イソバレリル-L-Tyr-L-Val-)アミノ]-3-(4-ヒドロキシフェニル)-1-プロパノール
  • N-イソバレリル-L-Tyr-L-Val-[(1S)-1-(4-ヒドロキシベンジル)-2-ヒドロキシエチル]NH2
  • (2S)-N-[(2S)-1-ヒドロキシ-3-(4-ヒドロキシフェニル)プロパン-2-イル]-2-[(2S)-3-(4-ヒドロキシフェニル)-2-(3-メチルブタンアミド)プロパンアミド]-3-メチルブタンアミド
  • (2S)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-2-[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanamido)propanamido]-3-methylbutanamide
Other name (2)：
  • (S)-2-[(N-Isovaleryl-L-Tyr-L-Val-)amino]-3-(4-hydroxyphenyl)-1-propanol
  • N-Isovaleryl-L-Tyr-L-Val-[(1S)-1-(4-hydroxybenzyl)-2-hydroxyethyl]NH2
Thsaurus map：
Thesaurus Map

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