Chemical Compound

5-[({5-[6-amino-2-(6-amino-2-{[1-({5-amino-1-[(5-amino-1-{[1-carbamoyl-5-({[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]carbamothioyl}amino)pentyl]carbamoyl}pentyl)carbamoyl]pentyl}carbamoyl)-5-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl]amino}hexanamido)hexanamido]-5-carbamoylpentyl}carbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

5-[({5-[6-amino-2-(6-amino-2-{[1-({5-amino-1-[(5-amino-1-{[1-carbamoyl-5-({[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]carbamothioyl}amino)pentyl]carbamoyl}pentyl)carbamoyl]pentyl}carbamoyl)-5-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl]amino}hexanamido)hexanamido]-5-carbamoylpentyl}carbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid 结构式
Primary record

5-[({5-[6-amino-2-(6-amino-2-{[1-({5-amino-1-[(5-amino-1-{[1-carbamoyl-5-({[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]carbamothioyl}amino)pentyl]carbamoyl}pentyl)carbamoyl]pentyl}carbamoyl)-5-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl]amino}hexanamido)hexanamido]-5-carbamoylpentyl}carbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177564583
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCNC(=S)NC4=CC(=C(C=C4)C5=C6C=CC(=O)C=C6OC7=C5C=CC(=C7)O)C(=O)O)C(=O)N)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCNC(=S)NC8=CC(=C(C=C8)C9=C1C=CC(=O)C=C1OC1=C9C=CC(=C1)O)C(=O)O)C(=O)N
Canonical SMILES
COc1ccc2nc3cc(Cl)ccc3c(NCCCCC(NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)C(N)=O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)C(N)=O)c2c1

名称与同义词

  • J2.676.415G
  • 2,2 -[6-[(2-Methoxy-6-chloroacridine-9-yl)amino]-1-oxohexane-1,2-diyl]bis[imino(6-amino-1-oxohexane-2,1-diyl)imino(6-amino-1-oxohexane-2,1-diyl)imino]bis[6-[[[4-(3-oxo-6-hydroxy-3H-xanthene-9-yl)-3-carboxyphenyl]amino](thiocarbonyl)amino]hexanamide]
  • 5-[({5-[6-amino-2-(6-amino-2-{[1-({5-amino-1-[(5-amino-1-{[1-carbamoyl-5-({[3-carboxy-4-(6-hydroxy-3-oxo-3H-xanthen-9-yl)phenyl]carbamothioyl}amino)pentyl]carbamoyl}pentyl)carbamoyl]pentyl}carbamoyl)-5-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl]amino}hexanamido)hexanamido]-5-carbamoylpentyl}carbamothioyl)amino]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid