Chem
J-GLOBAL ID:201507014998624869   Nikkaji number:J3.441.364I

ML-056

(2R)-N-(3-ヘキシルフェニル)-4-ホスホノ-2-アミノブチルアミド
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: C16H27N2O4P
Molecular formula furigana: C16-H27-N2-O4-P
Molecular weight: 342.376
InChI: InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
InChI key: FWJRVGZWNDOOFH-OAHLLOKOSA-N
SMILES: CCCCCCc1cccc(NC(=O)[C@H](N)CCP(=O)(O)O)c1
Systematic name  (4):
  • [(3R)-3-アミノ-4-[(3-ヘキシルフェニル)アミノ]-4-オキソブチル]ホスホン酸
  • (2R)-N-(3-ヘキシルフェニル)-4-ホスホノ-2-アミノブチルアミド
  • [(3R)-3-アミノ-3-[(3-ヘキシルフェニル)カルバモイル]プロピル]ホスホン酸
  • [(3R)-3-amino-3-[(3-hexylphenyl)carbamoyl]propyl]phosphonic acid
Other name (3):
  • [(3R)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid
  • ML-056
  • (2R)-N-(3-Hexylphenyl)-4-phosphono-2-aminobutyramide
CAS registry number: 909725-61-7
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