Chemical Compound

(3S,9S)-3,9-diamino-5,6,6-tris[(2S)-2-amino-4-carboxybutanoyl]-7-{N-[(2S)-2-amino-4-carboxybutanoyl]-1-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(2S)-2-amino-4-carboxybutanoyl]oxy}carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylic acid

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(3S,9S)-3,9-diamino-5,6,6-tris[(2S)-2-amino-4-carboxybutanoyl]-7-{N-[(2S)-2-amino-4-carboxybutanoyl]-1-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(2S)-2-amino-4-carboxybutanoyl]oxy}carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylic acid 结构式
Primary record

(3S,9S)-3,9-diamino-5,6,6-tris[(2S)-2-amino-4-carboxybutanoyl]-7-{N-[(2S)-2-amino-4-carboxybutanoyl]-1-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(2S)-2-amino-4-carboxybutanoyl]oxy}carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
136948344
SMILES
C1=CC(=CC=C1C(=O)N(C(=O)[C@H](CCC(=O)O)N)C(C(=O)[C@H](CCC(=O)O)N)(C(=O)OC(=O)[C@H](CCC(=O)O)N)C(C(=O)[C@H](CCC(=O)O)N)(C(=O)[C@H](CCC(=O)O)N)C(C(=O)[C@H](CCC(=O)O)N)(C(=O)[C@H](CCC(=O)O)N)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
Canonical SMILES
Nc1nc2ncc(CNc3ccc(C(=O)N(C(=O)[C@@H](N)CCC(=O)O)C(C(=O)OC(=O)[C@@H](N)CCC(=O)O)(C(=O)[C@@H](N)CCC(=O)O)C(C(=O)[C@@H](N)CCC(=O)O)(C(=O)[C@@H](N)CCC(=O)O)C(C(=O)O)(C(=O)[C@@H](N)CCC(=O)O)C(=O)[C@@H](N)CCC(=O)O)cc3)nc2c(=O)[nH]1

名称与同义词

  • Heptaglutamyl folic acid
  • Heptaglutamyl folate
  • RefChem:145638
  • CHEBI:89846
  • Q27162030
  • (3S,9S)-3,9-diamino-5,6,6-tris[(2S)-2-amino-4-carboxybutanoyl]-7-{N-[(2S)-2-amino-4-carboxybutanoyl]-1-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(2S)-2-amino-4-carboxybutanoyl]oxy}carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylic acid
  • (3S,9S)-3,9-diamino-5,6,6-tris((2S)-2-amino-4-carboxybutanoyl)-7-(N-((2S)-2-amino-4-carboxybutanoyl)-1-(4-(((2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)amino)phenyl)formamido)-7-((((2S)-2-amino-4-carboxybutanoyl)oxy)carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylic acid
  • (3S,9S)-3,9-Diamino-5,6,6-tris((2S)-2-amino-4-carboxybutanoyl)-7-(n-((2S)-2-amino-4-carboxybutanoyl)-1-(4-(((4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)methyl)amino)phenyl)formamido)-7-((((2S)-2-amino-4-carboxybutanoyl)oxy)carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylate
  • (3S,9S)-3,9-Diamino-5,6,6-tris[(2S)-2-amino-4-carboxybutanoyl]-7-{n-[(2S)-2-amino-4-carboxybutanoyl]-1-(4-{[(4-hydroxy-2-imino-1,2-dihydropteridin-6-yl)methyl]amino}phenyl)formamido}-7-({[(2S)-2-amino-4-carboxybutanoyl]oxy}carbonyl)-4,8-dioxoundecane-1,5,11-tricarboxylate