Red-CLA
HIT219586477
sdf文件结构编辑类似物检索
HIT ID: HIT219586477
Cas No: 886840-56-8
分子式: C50H51N7O9S2
分子量: 958.12
常用名: Red-CLA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 16-[5-({2-[4-(4-{2-methyl-3-oxo-3H,7H-imidazo[1,2-a]pyrazin-6-yl}phenoxy)butanamido]ethyl}sulfamoyl)-2-sulfonatophenyl]-3lambda4-oxa-9,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium
IUPAC: 16-[5-({2-[4-(4-{2-methyl-3-oxo-3H,7H-imidazo[1,2-a]pyrazin-6-yl}phenoxy)butanamido]ethyl}sulfamoyl)-2-sulfonatophenyl]-3lambda4-oxa-9,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1,3,5(28),13,15,17,19(27)-heptaen-3-ylium
SMILES: Cc1nc2c[nH]c(cn2c1=O)-c1ccc(OCCCC(=O)NCCNS(=O)(=O)c2ccc(c(c2)-c2c3cc4CCCN5CCCc(c45)c3[o+]c3c4CCCN5CCCc(cc23)c45)S([O-])(=O)=O)cc1
SMILES: Cc1nc2c[nH]c(cn2c1=O)-c1ccc(OCCCC(=O)NCCNS(=O)(=O)c2ccc(c(c2)-c2c3cc4CCCN5CCCc(c45)c3[o+]c3c4CCCN5CCCc(cc23)c45)S([O-])(=O)=O)cc1
InChI key: USCHMYZSZWGIDF-UHFFFAOYSA-N
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