Chem
J-GLOBAL ID:200907034839125480   Nikkaji number:J991.873F

(S)-2-[[(S)-3,6-Dioxo-4-isopropyl-7-(7-methyl-1-naphthyl)-2,5-diazaheptane-1-yl]phosphonyloxy]-3-phenylpropionic acid methyl ester

(S)-2-[[(S)-3,6-ジオキソ-4-イソプロピル-7-(7-メチル-1-ナフチル)-2,5-ジアザヘプタン-1-イル]ホスホニルオキシ]-3-フェニルプロピオン酸メチル
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: C29H35N2O7P
Molecular formula furigana: C29-H35-N2-O7-P
Molecular weight: 554.580
InChI: InChI=1S/C29H35N2O7P/c1-19(2)27(31-26(32)17-23-12-8-11-22-14-13-20(3)15-24(22)23)28(33)30-18-39(35,36)38-25(29(34)37-4)16-21-9-6-5-7-10-21/h5-15,19,25,27H,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,35,36)/t25-,27-/m0/s1
InChI key: FTNHBYDXNXNWLA-BDYUSTAISA-N
SMILES: COC(=O)[C@H](Cc1ccccc1)OP(=O)(O)CNC(=O)[C@@H](NC(=O)Cc1cccc2ccc(C)cc12)C(C)C
Systematic name  (3):
  • (S)-2-[[(S)-3,6-ジオキソ-4-イソプロピル-7-(7-メチル-1-ナフチル)-2,5-ジアザヘプタン-1-イル]ホスホニルオキシ]-3-フェニルプロピオン酸メチル
  • {[(2S)-1-メトキシ-1-オキソ-3-フェニルプロパン-2-イル]オキシ}({[(2S)-3-メチル-2-[2-(7-メチルナフタレン-1-イル)アセトアミド]ブタンアミド]メチル})ホスフィン酸
  • {[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}({[(2S)-3-methyl-2-[2-(7-methylnaphthalen-1-yl)acetamido]butanamido]methyl})phosphinic acid
Other name (1):
  • (S)-2-[[(S)-3,6-Dioxo-4-isopropyl-7-(7-methyl-1-naphthyl)-2,5-diazaheptane-1-yl]phosphonyloxy]-3-phenylpropionic acid methyl ester
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