Chemical Compound

4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl 6-(4-{2-[(2-{[2-(3-{1-[6-({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)-6-oxohexyl]-1H-1,2,3-triazol-4-yl}propanamido)ethyl](2-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}ethyl)amino}ethyl)carbamoyl]ethyl}-1H-1,2,3-triazol-1-yl)hexanoate

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4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl 6-(4-{2-[(2-{[2-(3-{1-[6-({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)-6-oxohexyl]-1H-1,2,3-triazol-4-yl}propanamido)ethyl](2-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}ethyl)amino}ethyl)carbamoyl]ethyl}-1H-1,2,3-triazol-1-yl)hexanoate 结构式
Primary record

4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl 6-(4-{2-[(2-{[2-(3-{1-[6-({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)-6-oxohexyl]-1H-1,2,3-triazol-4-yl}propanamido)ethyl](2-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}ethyl)amino}ethyl)carbamoyl]ethyl}-1H-1,2,3-triazol-1-yl)hexanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177459065
SMILES
CCC1=C(C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C=C)C)C)CCC(=O)OC)CC(=O)OC)C(=O)NCCN(CCNC(=O)CCC6=CN(N=N6)CCCCCC(=O)OC7=C(C=C8C(=C7)N=CN=C8NC9=C(C=C(C=C9)Br)F)OC)CCNC(=O)CCC1=CN(N=N1)CCCCCC(=O)OC1=C(C=C2C(=C1)N=CN=C2NC1=C(C=C(C=C1)Br)F)OC)C)C
Canonical SMILES
C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)NCCN(CCNC(=O)CCc1cn(CCCCCC(=O)Oc2cc4ncnc(Nc5ccc(Br)cc5F)c4cc2OC)nn1)CCNC(=O)CCc1cn(CCCCCC(=O)Oc2cc4ncnc(Nc5ccc(Br)cc5F)c4cc2OC)nn1)[C@@H](CCC(=O)OC)[C@@H]3C

名称与同义词

  • J3.568.391G
  • 12-[[2-[Bis[2-[[3-[1-[6-oxo-6-[[4-(2-fluoro-4-bromoanilino)-6-methoxyquinazoline-7-yl]oxy]hexyl]-1H-1,2,3-triazole-4-yl]propanoyl]amino]ethyl]amino]ethyl]carbamoyl]-3,7beta,13,18-tetramethyl-2-vinyl-10-(2-methoxy-2-oxoethyl)-17-ethyl-7,8-dihydro-21H,23H-porphyrin-8alpha-propionic acid methyl ester
  • 4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl 6-(4-{2-[(2-{[2-(3-{1-[6-({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)-6-oxohexyl]-1H-1,2,3-triazol-4-yl}propanamido)ethyl](2-{[(19S,20S)-14-ethenyl-9-ethyl-2-(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaen-4-yl]formamido}ethyl)amino}ethyl)carbamoyl]ethyl}-1H-1,2,3-triazol-1-yl)hexanoate