CL2A
HIT212667547
sdf文件结构编辑类似物检索
HIT ID: HIT212667547
Cas No: 1846605-04-6
分子式: C51H79N9O18
分子量: 1106.238
常用名: CL2A
氢键受体数 (HBA): 20
氢键供体数 (HBD): 6
LogP: -3.2049198
IUPAC: {4-[(2S)-6-amino-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)hexanamido]phenyl}methyl hydrogen carbonate
IUPAC: {4-[(2S)-6-amino-2-(2-{[(26-{4-[({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)methyl]-1H-1,2,3-triazol-1-yl}-3,6,9,12,15,18,21,24-octaoxahexacosan-1-yl)carbamoyl]methoxy}acetamido)hexanamido]phenyl}methyl hydrogen carbonate
SMILES: NCCCC[C@H](NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)nn1)C(=O)Nc1ccc(COC(O)=O)cc1 |c:56|
SMILES: NCCCC[C@H](NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)nn1)C(=O)Nc1ccc(COC(O)=O)cc1 |c:56|
InChI key: ROPNJQCXVPLRBE-DBSIFAAZSA-N
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