Chem
J-GLOBAL ID:200907036090419581
Nikkaji number:J276.665E
N-(L-α-Aspartyl)-D-phenylglycine 1-[[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2α-yl]methyl] 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-7-オキサビシクロ[2.2.1]ヘプタン-2α-イル]メチル]
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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)15(22(3)10-9-16(21)30-22)12-29-20(28)18(13-7-5-4-6-8-13)24-19(27)14(23)11-17(25)26/h4-8,14-16,18H,9-12,23H2,1-3H3,(H,24,27)(H,25,26)/t14-,15+,16?,18+,22-/m0/s1
InChI key:
KGZKZRSJHPAHGM-UXOPZXFQSA-N
SMILES:
CC1(C)C2CC[C@](C)(O2)[C@@H]1COC(=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-7-オキサビシクロ[2.2.1]ヘプタン-2α-イル]メチル]
(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-7-オキサビシクロ[2.2.1]ヘプタン-2-イル]メトキシ}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-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]methoxy}ethyl]carbamoyl}propanoic acid
Other name (1):
N-(L-α-Aspartyl)-D-phenylglycine 1-[[(1S)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2α-yl]methyl] ester
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