Chem
J-GLOBAL ID：200907091046795151   Nikkaji number：J1.430.908J

Pro-Phe-(4-Hydroxy-4,4-diphosphonobutyl)NH2

Pro-Phe-(4-ヒドロキシ-4,4-ジホスホノブチル)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： C18H29N3O9P2
Molecular formula furigana： C18-H29-N3-O9-P2
Molecular weight： 493.390
InChI： InChI=1S/C18H29N3O9P2/c19-10-5-9-18(24,31(25,26)27)32(28,29)30-17(23)15(12-13-6-2-1-3-7-13)21-16(22)14-8-4-11-20-14/h1-3,6-7,14-15,20,24H,4-5,8-12,19H2,(H,21,22)(H,28,29)(H2,25,26,27)/t14-,15-,18?/m0/s1
InChI key： MBUSFFAHGBYSNG-INHRHCAVSA-N
SMILES： NCCCC(O)(P(=O)(O)O)P(=O)(O)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1
Systematic name  (3)：
  • Pro-Phe-(4-ヒドロキシ-4,4-ジホスホノブチル)NH2
  • {4-アミノ-1-ヒドロキシ-1-[ヒドロキシ({[(2S)-3-フェニル-2-{[(2S)-ピロリジン-2-イル]ホルムアミド}プロパノイル]オキシ})ホスホリル]ブチル}ホスホン酸
  • {4-amino-1-hydroxy-1-[hydroxy({[(2S)-3-phenyl-2-{[(2S)-pyrrolidin-2-yl]formamido}propanoyl]oxy})phosphoryl]butyl}phosphonic acid
Other name (1)：
  • Pro-Phe-(4-Hydroxy-4,4-diphosphonobutyl)NH2
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