Name: Fmoc-Val-Cit-PAB-Duocarmycin TM
Rating: 5 (10 reviews)

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HIT ID:HIT212667755
Cas No:
常用名:Fmoc-Val-Cit-PAB-Duocarmycin TM
IUPAC:(9H-fluoren-9-yl)methyl N-[(1S)-1-{[(1S)-4-(carbamoylamino)-1-{[4-({[(1S)-1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1H,2H,3H-benzo[e]indol-5-yl]oxy}methyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamate
IUPAC:(9H-fluoren-9-yl)methyl N-[(1S)-1-{[(1S)-4-(carbamoylamino)-1-{[4-({[(1S)-1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1H,2H,3H-benzo[e]indol-5-yl]oxy}methyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamate
InChI key:BCKGVSZLCXRPLX-UQSSJIKVSA-N

分子式:C58H60ClN7O10
分子量:1050.61
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:7.161737
SMILES:COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N1C[C@@H](CCl)c2c1cc(OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc34)C(C)C)cc1)c1ccccc21
SMILES:COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N1C[C@@H](CCl)c2c1cc(OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc34)C(C)C)cc1)c1ccccc21

Fmoc-Val-Cit-PAB-Duocarmycin TM is a drug-linker conjugate designed for antibody-drug conjugation (ADC), utilizing the antitumor antibiotic Duocarmycin TM. It is connected through the linker Fmoc-Val-Cit-PAB.

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