Antibiotic Sch 378167
HIT212523019
sdf文件结构编辑类似物检索
HIT ID: HIT212523019
Cas No: 336108-99-7
分子式: C57H87N9O15
分子量: 1138.371
常用名: Antibiotic Sch 378167
氢键受体数 (HBA): 14
氢键供体数 (HBD): 6
LogP: 1.845
IUPAC: 3-[21-benzyl-3,24-bis(butan-2-yl)-6-(2-carboxyethyl)-7,10,28-trimethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-9,30-bis(propan-2-yl)-25-oxa-1,4,7,10,13,19,22,28,31-nonaazatricyclo[31.4.0.0^{15,19}]heptatriacontan-27-yl]propanoic acid
IUPAC: 3-[21-benzyl-3,24-bis(butan-2-yl)-6-(2-carboxyethyl)-7,10,28-trimethyl-2,5,8,11,14,20,23,26,29,32-decaoxo-9,30-bis(propan-2-yl)-25-oxa-1,4,7,10,13,19,22,28,31-nonaazatricyclo[31.4.0.0^{15,19}]heptatriacontan-27-yl]propanoic acid
SMILES: CCC(C)C1NC(=O)C(CCC(O)=O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(OC(=O)C(CCC(O)=O)N(C)C(=O)C(NC(=O)C2CCCCN2C1=O)C(C)C)C(C)CC
SMILES: CCC(C)C1NC(=O)C(CCC(O)=O)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(OC(=O)C(CCC(O)=O)N(C)C(=O)C(NC(=O)C2CCCCN2C1=O)C(C)C)C(C)CC
InChI key: IVOBIIPKUUYUPR-UHFFFAOYSA-N
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