Biotin-PEG4-PC-PEG4-alkyne
HIT212667441
sdf文件结构编辑类似物检索
HIT ID: HIT212667441
Cas No:
分子式: C42H66N6O15S
分子量: 927.08
常用名: Biotin-PEG4-PC-PEG4-alkyne
氢键受体数 (HBA): 14
氢键供体数 (HBD): 5
LogP: 0.36510408
IUPAC: 1-{5-[(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12-tetraoxapentadecan-15-amido)methyl]-2-nitrophenyl}ethyl N-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamate
IUPAC: 1-{5-[(1-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-3,6,9,12-tetraoxapentadecan-15-amido)methyl]-2-nitrophenyl}ethyl N-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamate
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCc3ccc(c(c3)C(C)OC(=O)NCCOCCOCCOCCOCC#C)[N+]([O-])=O)[C@@]1([H])NC(=O)N2
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCc3ccc(c(c3)C(C)OC(=O)NCCOCCOCCOCCOCC#C)[N+]([O-])=O)[C@@]1([H])NC(=O)N2
InChI key: OMTHNWBCRDLESW-UFVNHSNHSA-N
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