Coumarin-C2-exo-BCN
HIT217585105
sdf文件结构编辑类似物检索
HIT ID: HIT217585105
Cas No: 2488174-17-8
分子式: C27H33N3O5
分子量: 479.577
常用名: Coumarin-C2-exo-BCN
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-(2-{[7-(diethylamino)-2-oxo-2H-chromen-3-yl]formamido}ethyl)carbamate
IUPAC: [(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-(2-{[7-(diethylamino)-2-oxo-2H-chromen-3-yl]formamido}ethyl)carbamate
SMILES: [H][C@@]12CCC#CCC[C@]1([H])[C@H]2COC(=O)NCCNC(=O)c1cc2ccc(cc2oc1=O)N(CC)CC
SMILES: [H][C@@]12CCC#CCC[C@]1([H])[C@H]2COC(=O)NCCNC(=O)c1cc2ccc(cc2oc1=O)N(CC)CC
InChI key: LUYLWVCNHATAEN-SGRGSNTQSA-N
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