Chemical Compound

methyl 3-[12-(3-methoxy-3-oxopropyl)-7-(1-methyl-1H-imidazol-2-yl)-17-{15,24,33-tri-tert-butyl-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-yl}-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),19-undecaen-2-yl]propanoate

methyl 3-[12-(3-methoxy-3-oxopropyl)-7-(1-methyl-1H-imidazol-2-yl)-17-{15,24,33-tri-tert-butyl-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-yl}-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),19-undecaen-2-yl]propanoate 结构式
Primary record

methyl 3-[12-(3-methoxy-3-oxopropyl)-7-(1-methyl-1H-imidazol-2-yl)-17-{15,24,33-tri-tert-butyl-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-yl}-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),19-undecaen-2-yl]propanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101349571
SMILES
CC(C)(C)C1=CC2=C(C=C1)C3=NC4=C5C=C(C=CC5=C(N4)N=C6C7=C(C=CC(=C7)C(C)(C)C)C(=N6)N=C8C9=C(C=CC(=C9)C1=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C6C=CC1=N6)CCC(=O)OC)C1=NC=CN1C)C=C5)CCC(=O)OC)N4)C(=NC2=N3)N8)C(C)(C)C
Canonical SMILES
COC(=O)CCc1c2nc(c(-c3nccn3C)c3ccc([nH]3)c(CCC(=O)OC)c3nc(c(-c4ccc5c6nc7nc(nc8[nH]c(nc9nc(nc([nH]6)c5c4)-c4ccc(C(C)(C)C)cc4-9)c4ccc(C(C)(C)C)cc84)-c4ccc(C(C)(C)C)cc4-7)c4ccc1[nH]4)C=C3)C=C2

名称与同义词

  • J2.091.039I
  • 10-(1-Methyl-1H-imidazole-2-yl)-20-[72,122,172-tri-tert-butyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22-yl]-21H,23H-porphyrin-5,15-bis(propionic acid methyl) ester
  • methyl 3-[12-(3-methoxy-3-oxopropyl)-7-(1-methyl-1H-imidazol-2-yl)-17-{15,24,33-tri-tert-butyl-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-yl}-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),19-undecaen-2-yl]propanoate