Mal-PEG12-DSPE
HIT212667947
sdf文件结构编辑类似物检索
HIT ID: HIT212667947
Cas No:
分子式: C75H140N3O24P
分子量: 1498.916
常用名: Mal-PEG12-DSPE
氢键受体数 (HBA): 20
氢键供体数 (HBD): 3
LogP: 11.151764
IUPAC: [2,3-bis(octadecanoyloxy)propoxy](2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amido}ethoxy)phosphinic acid
IUPAC: [2,3-bis(octadecanoyloxy)propoxy](2-{1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-amido}ethoxy)phosphinic acid
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC |c:79|
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)OC(=O)CCCCCCCCCCCCCCCCC |c:79|
InChI key: NSUQHFQCPXYHBT-UHFFFAOYSA-N
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