Chemical Compound

3-[(1R,3R,4R,10S,14S,16Z,18S,19S)-4,13,18-tris(2-carboxyethyl)-3,9,14,19-tetrakis(carboxymethyl)-1,4,10,14,19-pentamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),7(22),8,12,15(21),16-hexaen-8-yl]propanoic acid

3-[(1R,3R,4R,10S,14S,16Z,18S,19S)-4,13,18-tris(2-carboxyethyl)-3,9,14,19-tetrakis(carboxymethyl)-1,4,10,14,19-pentamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),7(22),8,12,15(21),16-hexaen-8-yl]propanoic acid 结构式
Primary record

3-[(1R,3R,4R,10S,14S,16Z,18S,19S)-4,13,18-tris(2-carboxyethyl)-3,9,14,19-tetrakis(carboxymethyl)-1,4,10,14,19-pentamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),7(22),8,12,15(21),16-hexaen-8-yl]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
153273989
SMILES
C[C@@]12CC3=C([C@](C(=CC4=N[C@@](C5[C@@H]([C@@](C(=N5)CC(=N1)C(=C2CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)N3)(C)CC(=O)O)CCC(=O)O
Canonical SMILES
C[C@@]1(CC(=O)O)C2=CC3=N[C@@](C)(C4N=C(CC5=N[C@@](C)(CC(=C1CCC(=O)O)N2)C(CC(=O)O)=C5CCC(=O)O)[C@](C)(CCC(=O)O)[C@H]4CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O

名称与同义词

  • Precorrin 6B
  • Precorrin 6Y
  • J2.760.995C
  • (9S,19R)-2alpha,8,13alpha,18alpha-Tetrakis(carboxymethyl)-3,9,13,18,19-pentamethyl-5,9,10-trihydro-7,8,12-tridehydrocorrin-3beta,7,12,17beta-tetrakispropanoic acid
  • 3-[(1R,3R,4R,10S,14S,16Z,18S,19S)-4,13,18-tris(2-carboxyethyl)-3,9,14,19-tetrakis(carboxymethyl)-1,4,10,14,19-pentamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-5(23),7(22),8,12,15(21),16-hexaen-8-yl]propanoic acid