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CR7

概要
表記:[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
別名:CHROMOPHORE (LYS-TYR-GLY)
組成式:C17 H22 N4 O4
電荷:0
化学式量:346.381 Da
分子種別:L-PEPTIDE LINKING

化合物名

プログラムバージョン表記
ACDLabs10.04{(4Z)-2-[(1S)-1,5-diaminopentyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
OpenEye OEToolkits1.5.02-[(4Z)-2-[(1S)-1,5-diaminopentyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=C1C(\N=C(N1CC(=O)O)C(N)CCCCN)=C\c2ccc(O)cc2
SMILES_CANONICALCACTVS3.341NCCCC[C@H](N)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O
SMILESCACTVS3.341NCCCC[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CCCCN)N)CC(=O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C=C2C(=O)N(C(=N2)C(CCCCN)N)CC(=O)O)O
InChIInChI1.03InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,9,13,22H,1-3,8,10,18-19H2,(H,23,24)/b14-9-/t13-/m0/s1
InChIKeyInChI1.03WMFQEYFPYHFWRF-GFAPJHNFSA-N

222415

件を2024-07-10に公開中

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