ROX NHS ester, 6-isomer
HIT218512071
sdf文件结构编辑类似物检索
HIT ID: HIT218512071
Cas No: 117491-83-5
分子式: C37H33N3O7
分子量: 631.685
常用名: ROX NHS ester, 6-isomer
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,5-dioxopyrrolidin-1-yl 3-oxo-3H-3'-oxa-9',23'-diazaspiro[2-benzofuran-1,16'-heptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosane]-1',4'(15'),5'(28'),13',17',19'(27')-hexaene-6-carboxylate
IUPAC: 2,5-dioxopyrrolidin-1-yl 3-oxo-3H-3'-oxa-9',23'-diazaspiro[2-benzofuran-1,16'-heptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosane]-1',4'(15'),5'(28'),13',17',19'(27')-hexaene-6-carboxylate
SMILES: O=C(ON1C(=O)CCC1=O)c1ccc2C(=O)OC3(c2c1)c1cc2CCCN4CCCc(c1Oc1c5CCCN6CCCc(cc31)c56)c24
SMILES: O=C(ON1C(=O)CCC1=O)c1ccc2C(=O)OC3(c2c1)c1cc2CCCN4CCCc(c1Oc1c5CCCN6CCCc(cc31)c56)c24
InChI key: PLTIOQHKDXDXSK-UHFFFAOYSA-N
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