Chem
J-GLOBAL ID:200907022206835358
Nikkaji number:J40.722D
Kelatorphan
ケラトルファン
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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:
C14 H18 N2 O5
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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