Chem
J-GLOBAL ID:200907045008274359
Nikkaji number:J276.674D
N-(L-α-Aspartyl)-D-phenylglycine 1-[(1S)-bicyclo[2.2.1]heptane-3β-yl] ester
N-(L-α-アスパルチル)-D-フェニルグリシン1-[(1S)-ビシクロ[2.2.1]ヘプタン-3β-イル]
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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:
C19 H24 N2 O5
Molecular formula furigana:
C19-H24-N2-O5
Molecular weight:
360.410
InChI:
InChI=1S/C19H24N2O5/c20-14(10-16(22)23)18(24)21-17(12-4-2-1-3-5-12)19(25)26-15-9-11-6-7-13(15)8-11/h1-5,11,13-15,17H,6-10,20H2,(H,21,24)(H,22,23)/t11-,13?,14-,15+,17+/m0/s1
InChI key:
OMTQGKWIRUPVIO-IBCFLCEFSA-N
SMILES:
N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1C[C@H]2CCC1C2)c1ccccc1
Systematic name (3):
N-(L-α-アスパルチル)-D-フェニルグリシン1-[(1S)-ビシクロ[2.2.1]ヘプタン-3β-イル]
(3S)-3-アミノ-3-{[(1R)-2-[(2R,4S)-ビシクロ[2.2.1]ヘプタン-2-イルオキシ]-2-オキソ-1-フェニルエチル]カルバモイル}プロパン酸
(3S)-3-amino-3-{[(1R)-2-[(2R,4S)-bicyclo[2.2.1]heptan-2-yloxy]-2-oxo-1-phenylethyl]carbamoyl}propanoic acid
Other name (1):
N-(L-α-Aspartyl)-D-phenylglycine 1-[(1S)-bicyclo[2.2.1]heptane-3β-yl] ester
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