Chemical Compound

3-[(3S,4S,5Z,8S,18R)-2-acetyl-9,14,18-tris(2-carboxyethyl)-3,8,13,19-tetrakis(carboxymethyl)-3,8,18-trimethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),5,7(22),9,12,14,17(20)-heptaen-4-yl]propanoic acid

3-[(3S,4S,5Z,8S,18R)-2-acetyl-9,14,18-tris(2-carboxyethyl)-3,8,13,19-tetrakis(carboxymethyl)-3,8,18-trimethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),5,7(22),9,12,14,17(20)-heptaen-4-yl]propanoic acid 结构式
Primary record

3-[(3S,4S,5Z,8S,18R)-2-acetyl-9,14,18-tris(2-carboxyethyl)-3,8,13,19-tetrakis(carboxymethyl)-3,8,18-trimethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),5,7(22),9,12,14,17(20)-heptaen-4-yl]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
5280930
SMILES
CC(=O)C12C3=C([C@@](C(=N3)CC4=C(C(=C(N4)CC5=C([C@](C(=N5)/C=C(\N1)/[C@H]([C@]2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O
Canonical SMILES
CC(=O)C12N/C(=C\C3=NC(=C(CCC(=O)O)[C@]3(C)CC(=O)O)Cc3[nH]c(c(CCC(=O)O)c3CC(=O)O)CC3=NC1=C(CC(=O)O)[C@@]3(C)CCC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O

名称与同义词

  • Precorrin 4
  • precorrin-4
  • AC1NQXS1
  • RefChem:175790
  • CHEBI:16430
  • SCHEMBL29598976
  • CID5280930
  • J2.763.145B
  • C06407
  • Q27101900
  • 3-[(2S,3S,4Z,7S,17R)-1-acetyl-8,13,17-tris(2-carboxyethyl)-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-10,15,21,23-tetrahydro-3H-corrin-3-yl]propanoic acid
  • 3,3',3'',3'''-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
  • 3-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid
  • 1-Acetyl-2beta,7beta,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-22-dehydro-1,2,3,7,10,15,17-heptahydrocorrole-3alpha,8,13,17alpha-tetrapropanoic acid
  • 3,3',3'',3'''-((2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl)tetrapropanoic acid
  • 3-[(3S,4S,5Z,8S,18R)-2-acetyl-9,14,18-tris(2-carboxyethyl)-3,8,13,19-tetrakis(carboxymethyl)-3,8,18-trimethyl-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(19),5,7(22),9,12,14,17(20)-heptaen-4-yl]propanoic acid