Name: Gly-Mal-Gly-Gly-Phe-Gly-amide-methylcyclopropane-Exatecan
Rating: 5 (10 reviews)

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HIT ID:HIT217583568
Cas No:2766786-76-7
常用名:Gly-Mal-Gly-Gly-Phe-Gly-amide-methylcyclopropane-Exatecan
常用名:Gly-Mal-Gly-Gly-Phe-Gly-amide-methylcyclopropane-Exatecan
IUPAC:2-{[(2S)-2-({[({[(1S)-1-{[({[(S)-cyclopropyl({[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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-23-yl]carbamoyl})methoxy]methyl}carbamoyl)methyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}acetic acid
IUPAC:2-{[(2S)-2-({[({[(1S)-1-{[({[(S)-cyclopropyl({[(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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-23-yl]carbamoyl})methoxy]methyl}carbamoyl)methyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]amino}acetic acid
InChI key:HDQCQCHOEYMCDL-NLGCWXQTSA-N

分子式:C54H57FN10O15
分子量:1105.103
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@@H](NC(=O)[C@@H](OCNC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)[C@H](CNCC(O)=O)N6C(=O)C=CC6=O)C6CC6)c(c3Cn1c2=O)c45
SMILES:CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@@H](NC(=O)[C@@H](OCNC(=O)CNC(=O)[C@H](Cc6ccccc6)NC(=O)CNC(=O)CNC(=O)[C@H](CNCC(O)=O)N6C(=O)C=CC6=O)C6CC6)c(c3Cn1c2=O)c45

Gly-Mal-Gly-Gly-Phe-Gly-amide-methylcyclopropane-Exatecan 适合用作抗体药物偶联物（ADC）的合成工艺。

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