Chem
J-GLOBAL ID：200907038090976009   Nikkaji number：J2.231.638I

(S)-2-[(N-Isovaleryl-L-Tyr-L-Val-)amino]-3-(4-methoxyphenyl)propanal

(S)-2-[(N-イソバレリル-L-Tyr-L-Val-)アミノ]-3-(4-メトキシフェニル)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： C29H39N3O6
Molecular formula furigana： C29-H39-N3-O6
Molecular weight： 525.646
InChI： InChI=1S/C29H39N3O6/c1-18(2)14-26(35)31-25(16-21-6-10-23(34)11-7-21)28(36)32-27(19(3)4)29(37)30-22(17-33)15-20-8-12-24(38-5)13-9-20/h6-13,17-19,22,25,27,34H,14-16H2,1-5H3,(H,30,37)(H,31,35)(H,32,36)/t22-,25-,27-/m0/s1
InChI key： FYYFZPUXXAZWRF-LNBJVWSJSA-N
SMILES： COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC(C)C)C(C)C)C=O)cc1
Systematic name  (3)：
  • (S)-2-[(N-イソバレリル-L-Tyr-L-Val-)アミノ]-3-(4-メトキシフェニル)プロパナール
  • (2S)-2-[(2S)-3-(4-ヒドロキシフェニル)-2-(3-メチルブタンアミド)プロパンアミド]-N-[(2S)-1-(4-メトキシフェニル)-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-(3-methylbutanamido)propanamido]-N-[(2S)-1-(4-methoxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Other name (1)：
  • (S)-2-[(N-Isovaleryl-L-Tyr-L-Val-)amino]-3-(4-methoxyphenyl)propanal
Thsaurus map：
Thesaurus Map

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