Chem
J-GLOBAL ID：200907022206835358   Nikkaji number：J40.722D

Kelatorphan

ケラトルファン
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： C14H18N2O5
Molecular formula furigana： C14-H18-N2-O5
Molecular weight： 294.307
InChI： InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1
InChI key： OJCFZTVYDSKXNM-GXSJLCMTSA-N
SMILES： C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)O
Systematic name  (3)：
  • N-[(R)-4-(ヒドロキシアミノ)-1,4-ジオキソ-2-(フェニルメチル)ブチル]-L-アラニン
  • (2S)-2-[(2R)-2-ベンジル-3-(ヒドロキシカルバモイル)プロパンアミド]プロパン酸
  • (2S)-2-[(2R)-2-benzyl-3-(hydroxycarbamoyl)propanamido]propanoic acid
Other name (3)：
  • ケラトルファン
  • Kelatorphan
  • N-[(R)-4-(Hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl]-L-alanine
CAS registry number： 92175-57-0
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