Chem
J-GLOBAL ID：200907000389179680   Nikkaji number：J1.152.934H

N-(5-Methylisoxazole-3-ylcarbonyl)-3-(1-naphthyl)-L-Ala-N-methyl-4-fluoro-L-Phe-[(S)-1-(3-oxo-3-ethoxy-1-propenyl)-4-oxo-4-aminobutyl]-NH2

N-(5-メチルイソオキサゾール-3-イルカルボニル)-3-(1-ナフチル)-L-Ala-N-メチル-4-フルオロ-L-Phe-[(S)-1-(3-オキソ-3-エトキシ-1-プロペニル)-4-オキソ-4-アミノブチル]-NH2
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： C37H40FN5O7
Molecular formula furigana： C37-H40-F-N5-O7
Molecular weight： 685.753
InChI： InChI=1S/C37H40FN5O7/c1-4-49-34(45)19-17-28(16-18-33(39)44)40-36(47)32(21-24-12-14-27(38)15-13-24)43(3)37(48)31(41-35(46)30-20-23(2)50-42-30)22-26-10-7-9-25-8-5-6-11-29(25)26/h5-15,17,19-20,28,31-32H,4,16,18,21-22H2,1-3H3,(H2,39,44)(H,40,47)(H,41,46)/t28-,31-,32-/m0/s1
InChI key： PIVUKSVVINLOBW-MHDHXZMLSA-N
SMILES： CCOC(=O)C=C[C@H](CCC(=O)N)NC(=O)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(C)on1
Systematic name  (3)：
  • N-(5-メチルイソオキサゾール-3-イルカルボニル)-3-(1-ナフチル)-L-Ala-N-メチル-4-フルオロ-L-Phe-[(S)-1-(3-オキソ-3-エトキシ-1-プロペニル)-4-オキソ-4-アミノブチル]-NH2
  • エチル (4S)-6-カルバモイル-4-[(2S)-3-(4-フルオロフェニル)-2-[(2S)-N-メチル-2-[(5-メチル-1,2-オキサゾール-3-イル)ホルムアミド]-3-(ナフタレン-1-イル)プロパンアミド]プロパンアミド]ヘキサ-2-エノアート
  • ethyl (4S)-6-carbamoyl-4-[(2S)-3-(4-fluorophenyl)-2-[(2S)-N-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]-3-(naphthalen-1-yl)propanamido]propanamido]hex-2-enoate
Other name (1)：
  • N-(5-Methylisoxazole-3-ylcarbonyl)-3-(1-naphthyl)-L-Ala-N-methyl-4-fluoro-L-Phe-[(S)-1-(3-oxo-3-ethoxy-1-propenyl)-4-oxo-4-aminobutyl]-NH2
Thsaurus map：
Thesaurus Map

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