Chem
J-GLOBAL ID:200907089472443144
Nikkaji number:J276.675B
N-(L-α-Aspartyl)-D-phenylglycine 1-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester
N-(L-α-アスパルチル)-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 O5
Molecular formula furigana:
C22-H30-N2-O5
Molecular weight:
402.491
InChI:
InChI=1S/C22H30N2O5/c1-21(2)14-9-10-22(3,12-14)20(21)29-19(28)17(13-7-5-4-6-8-13)24-18(27)15(23)11-16(25)26/h4-8,14-15,17,20H,9-12,23H2,1-3H3,(H,24,27)(H,25,26)/t14?,15-,17+,20+,22-/m0/s1
InChI key:
JTPQCIDNMXVPHL-CLBVICDCSA-N
SMILES:
C[C@]12CCC(C1)C(C)(C)[C@H]2OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccccc1
Systematic name (3):
N-(L-α-アスパルチル)-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)-2-オキソ-1-フェニル-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)-2-oxo-1-phenyl-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)-D-phenylglycine 1-[(1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2α-yl] ester
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