Chem
J-GLOBAL ID:200907060906520063
Nikkaji number:J1.266.446J
S-871786
(1S,3S,5S)-2-[N-[(S)-1-カルボキシ-3-フェニルプロピル]-L-アラニル]-2-アザビシクロ[3.3.0]オクタン-3-カルボン酸3-オクチル
Download MOL file
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:
C29 H44 N2 O5
Molecular formula furigana:
C29-H44-N2-O5
Molecular weight:
500.680
InChI:
InChI=1S/C29H44N2O5/c1-3-4-5-6-7-11-19-36-29(35)26-20-23-15-12-16-25(23)31(26)27(32)21(2)30-24(28(33)34)18-17-22-13-9-8-10-14-22/h8-10,13-14,21,23-26,30H,3-7,11-12,15-20H2,1-2H3,(H,33,34)/t21-,23-,24-,25-,26-/m0/s1
InChI key:
RFEGAQCKZVBJEJ-GKKOWRRISA-N
SMILES:
CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O
Systematic name (3):
(1S,3S,5S)-2-[N-[(S)-1-カルボキシ-3-フェニルプロピル]-L-アラニル]-2-アザビシクロ[3.3.0]オクタン-3-カルボン酸3-オクチル
(2S)-2-{[(2S)-1-[(2S,3aS,6aS)-2-[(オクチルオキシ)カルボニル]-オクタヒドロシクロペンタ[b]ピロール-1-イル]-1-オキソプロパン-2-イル]アミノ}-4-フェニルブタン酸
(2S)-2-{[(2S)-1-[(2S,3aS,6aS)-2-[(octyloxy)carbonyl]-octahydrocyclopenta[b]pyrrol-1-yl]-1-oxopropan-2-yl]amino}-4-phenylbutanoic acid
Other name (2):
(1S,3S,5S)-2-[N-[(S)-1-Carboxy-3-phenylpropyl]-L-alanyl]-2-azabicyclo[3.3.0]octane-3-carboxylic acid 3-octyl ester
S-871786
Thsaurus map:
Return to Previous Page