Name: DM1-MCC-PEG3-Biotin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218887266
Cas No:2183472-94-6
常用名:DM1-MCC-PEG3-Biotin
IUPAC:(2R,3S,5R,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2R)-2-(3-{[1-({4-[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]cyclohexyl}methyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylpropanamido)propanoate
IUPAC:(2R,3S,5R,6S,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1^{10,14}.0^{3,5}]hexacosa-10,12,14(26),16,18-pentaen-6-yl (2R)-2-(3-{[1-({4-[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]cyclohexyl}methyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-N-methylpropanamido)propanoate
InChI key:SOAFIZANZKFHCX-GIBMHHACSA-N

分子式:C65H95ClN8O18S2
分子量:1376.08
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(CC(C)=CC=C[C@@H](OC)[C@@]3(O)CC([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@@H](C)N(C)C(=O)CCSC1CC(=O)N(CC2CCC(CC2)C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@]3([H])NC(=O)N[C@]23[H])C1=O
SMILES:[H][C@@]12O[C@]1(C)[C@H](CC(=O)N(C)c1cc(CC(C)=CC=C[C@@H](OC)[C@@]3(O)CC([H])(OC(=O)N3)[C@H]2C)cc(OC)c1Cl)OC(=O)[C@@H](C)N(C)C(=O)CCSC1CC(=O)N(CC2CCC(CC2)C(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@]3([H])NC(=O)N[C@]23[H])C1=O

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