Chem
J-GLOBAL ID：200907013798365279
Nikkaji number：J2.049.644D
N-[(S)-2-(Benzylideneamino)-3-phenyl-1-oxopropyl]-L-Phe-L-Ala-L-Phe-OBut
N-[(S)-2-(ベンジリデンアミノ)-3-フェニル-1-オキソプロピル]-L-Phe-L-Ala-L-Phe-OBut
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
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
Molecular formula： C41H46N4O5
Molecular formula furigana： C41-H46-N4-O5
Molecular weight： 674.842
InChI：
InChI=1S/C41H46N4O5/c1-29(37(46)45-36(40(49)50-41(2,3)4)27-32-21-13-7-14-22-32)43-39(48)35(26-31-19-11-6-12-20-31)44-38(47)34(25-30-17-9-5-10-18-30)42-28-33-23-15-8-16-24-33/h5-24,28-29,34-36H,25-27H2,1-4H3,(H,43,48)(H,44,47)(H,45,46)/t29-,34-,35-,36-/m0/s1
InChI key：
ZQILTVUNXOOLNO-XWRHLKSWSA-N
SMILES：
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
Systematic name (3)：
- N-[(S)-2-(ベンジリデンアミノ)-3-フェニル-1-オキソプロピル]-L-Phe-L-Ala-L-Phe-OBut
- tert-ブチル (2S)-3-フェニル-2-[(2S)-2-[(2S)-3-フェニル-2-[(2S)-3-フェニル-2-[(フェニルメチリデン)アミノ]プロパンアミド]プロパンアミド]プロパンアミド]プロパノアート
- tert-butyl (2S)-3-phenyl-2-[(2S)-2-[(2S)-3-phenyl-2-[(2S)-3-phenyl-2-[(phenylmethylidene)amino]propanamido]propanamido]propanamido]propanoate
- N-[(S)-2-(Benzylideneamino)-3-phenyl-1-oxopropyl]-L-Phe-L-Ala-L-Phe-OBut
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