HIT ID: HIT212057356
Cas No: 455264-30-9
分子式: C28H29BrN4O3
分子量: 549.469
常用名: Zaurategrast ethyl ester
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 5.038365
IUPAC: ethyl (2S)-2-({2-bromo-3-oxospiro[3.5]non-1-en-1-yl}amino)-3-{4-[(2,7-naphthyridin-1-yl)amino]phenyl}propanoate
IUPAC: ethyl (2S)-2-({2-bromo-3-oxospiro[3.5]non-1-en-1-yl}amino)-3-{4-[(2,7-naphthyridin-1-yl)amino]phenyl}propanoate
SMILES: CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:28|
SMILES: CCOC(=O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C11CCCCC1 |c:28|
InChI key: QCYAXXZCQKMTMO-QFIPXVFZSA-N
