Name: Mal-PEG8-amide-Val-Ala-(4-NH2)-Exatecan
Rating: 5 (10 reviews)

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HIT ID:HIT214983334
Cas No:2495742-34-0
常用名:Mal-PEG8-amide-Val-Ala-(4-NH2)-Exatecan
常用名:Mal-PEG8-amide-Val-Ala-(4-NH2)-Exatecan
IUPAC:1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-19-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
IUPAC:1-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(10S)-10-ethyl-10-hydroxy-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-19-yl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
InChI key:OYYHJMUXFQIRBT-ZHSICCDKSA-N

分子式:C57H77N7O18
分子量:1148.274
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)C(C)C)c5CCCc(c3Cn1c2=O)c45
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN5C(=O)C=CC5=O)C(C)C)c5CCCc(c3Cn1c2=O)c45

Mal-PEG8-amide-Val-Ala-(4-NH2)-Exatecan 是一种 ADC 合成用偶联剂，包含了拓扑异构酶抑制剂衍生物，该衍生物带有接头，用于连接配体单元。

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