NUN 89065
HIT217670109
sdf文件结构编辑类似物检索
HIT ID: HIT217670109
Cas No: 2086689-06-5
分子式: C38H45N5O13S
分子量: 811.86
常用名: NUN 89065
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-({2-[2-(2-azidoethoxy)ethoxy]ethyl}({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino)-3,6,9,12-tetraoxapentadecan-15-oic acid
IUPAC: 1-({2-[2-(2-azidoethoxy)ethoxy]ethyl}({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino)-3,6,9,12-tetraoxapentadecan-15-oic acid
SMILES: OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCN=[N+]=[N-])C(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12
SMILES: OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCN=[N+]=[N-])C(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12
InChI key: NJEUQTQEGQWTHD-UHFFFAOYSA-N
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