Chem
J-GLOBAL ID:200907050487742209
Nikkaji number:J281.735G
N-L-α-Aspartyl-4-hydroxy-D-phenylglycine 1-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester
N-L-α-アスパルチル-4-ヒドロキシ-D-フェニルグリシン1-[(1S)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2α-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:
C22 H30 N2 O6
Molecular formula furigana:
C22-H30-N2-O6
Molecular weight:
418.490
InChI:
InChI=1S/C22H30N2O6/c1-21(2)13-8-9-22(3,11-13)20(21)30-19(29)17(12-4-6-14(25)7-5-12)24-18(28)15(23)10-16(26)27/h4-7,13,15,17,20,25H,8-11,23H2,1-3H3,(H,24,28)(H,26,27)/t13?,15-,17+,20+,22-/m0/s1
InChI key:
CUOXOXVKZMANOK-DSGNRCHHSA-N
SMILES:
C[C@]12CCC(C1)C(C)(C)[C@H]2OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccc(O)cc1
Systematic name (3):
N-L-α-アスパルチル-4-ヒドロキシ-D-フェニルグリシン1-[(1S)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2α-イル]
(3S)-3-アミノ-3-{[(1R)-1-(4-ヒドロキシフェニル)-2-オキソ-2-{[(1S,2S)-1,3,3-トリメチルビシクロ[2.2.1]ヘプタン-2-イル]オキシ}エチル]カルバモイル}プロパン酸
(3S)-3-amino-3-{[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-{[(1S,2S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl]oxy}ethyl]carbamoyl}propanoic acid
Other name (1):
N-L-α-Aspartyl-4-hydroxy-D-phenylglycine 1-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester
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