Chem
J-GLOBAL ID：200907081881098121   Nikkaji number：J2.231.644C

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

(S)-2-[(N-イソバレリル-O-メチル-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： C30H41N3O6
Molecular formula furigana： C30-H41-N3-O6
Molecular weight： 539.673
InChI： InChI=1S/C30H41N3O6/c1-19(2)15-27(35)32-26(17-22-9-13-25(39-6)14-10-22)29(36)33-28(20(3)4)30(37)31-23(18-34)16-21-7-11-24(38-5)12-8-21/h7-14,18-20,23,26,28H,15-17H2,1-6H3,(H,31,37)(H,32,35)(H,33,36)/t23-,26-,28-/m0/s1
InChI key： BQBKGSQTDNCHIV-WSHBGFIESA-N
SMILES： COc1ccc(C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)C)C(C)C)C=O)cc1
Systematic name  (3)：
  • (S)-2-[(N-イソバレリル-O-メチル-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-メトキシフェニル)-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-methoxyphenyl)-2-(3-methylbutanamido)propanamido]-N-[(2S)-1-(4-methoxyphenyl)-3-oxopropan-2-yl]-3-methylbutanamide
Other name (1)：
  • (S)-2-[(N-Isovaleryl-O-methyl-L-Tyr-L-Val-)amino]-3-(4-methoxyphenyl)propanal
Thsaurus map：
Thesaurus Map

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