Chemical Compound
(4S)-4-{[(1S)-1-{[(1S)-2-carboxy-1-({2-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]ethyl}carbamoyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2S)-2-[4-(1-{6-[({[(2R,3S,5S)-3-[({[(2R,3S,5S)-5-{2-[(4-{2-[4-(dicyanomethylidene)-6-methyl-4H-pyran-2-yl]ethenyl}phenyl)(methyl)amino]ethoxy}-3-{[hydroxy({[(2R,3S,5S)-3-({hydroxy[3-({hydroxy[3-(phosphonooxy)propoxy]phosphoryl}oxy)propoxy]phosphoryl}oxy)-5-(pyren-1-yl)oxolan-2-yl]methoxy})phosphoryl]peroxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)peroxy]-5-(pyren-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]hexyl}-1H-1,2,3-triazol-4-yl)butanamido]-4-methylpentanamido]butanoic acid
Primary record
(4S)-4-{[(1S)-1-{[(1S)-2-carboxy-1-({2-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]ethyl}carbamoyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2S)-2-[4-(1-{6-[({[(2R,3S,5S)-3-[({[(2R,3S,5S)-5-{2-[(4-{2-[4-(dicyanomethylidene)-6-methyl-4H-pyran-2-yl]ethenyl}phenyl)(methyl)amino]ethoxy}-3-{[hydroxy({[(2R,3S,5S)-3-({hydroxy[3-({hydroxy[3-(phosphonooxy)propoxy]phosphoryl}oxy)propoxy]phosphoryl}oxy)-5-(pyren-1-yl)oxolan-2-yl]methoxy})phosphoryl]peroxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)peroxy]-5-(pyren-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]hexyl}-1H-1,2,3-triazol-4-yl)butanamido]-4-methylpentanamido]butanoic acid
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177633397
- SMILES
- CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/C2=CC=C(C=C2)N(C)CCO[C@@H]3C[C@@H]([C@H](O3)COP(=O)(O)OO[C@H]4C[C@H](O[C@@H]4COP(=O)(O)OCCCCCCN5C=C(N=N5)CCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC(=O)O)C(=O)NCCNC(=O)C7=CC=C(C=C7)N=NC8=CC=C(C=C8)N(C)C)C9=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9)OOP(=O)(O)OC[C@@H]1[C@H](C[C@H](O1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OP(=O)(O)OCCCOP(=O)(O)OCCCOP(=O)(O)O
- Canonical SMILES
- CC1=CC(=C(C#N)C#N)C=C(/C=C/c2ccc(N(C)CCO[C@@H]3C[C@H](OOP(=O)(O)OC[C@H]4O[C@H](c5ccc6ccc7cccc8ccc5c6c78)C[C@@H]4OP(=O)(O)OCCCOP(=O)(O)OCCCOP(=O)(O)O)[C@@H](COP(=O)(O)OO[C@H]4C[C@@H](c5ccc6ccc7cccc8ccc5c6c78)O[C@@H]4COP(=O)(O)OCCCCCCn4cc(CCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc5c[nH]cn5)C(=O)N[C@@H](CC(=O)O)C(=O)NCCNC(=O)c5ccc(N=Nc6ccc(N(C)C)cc6)cc5)nn4)O3)cc2)O1
名称与同义词
- J2.948.933E
- (4S)-4-{[(1S)-1-{[(1S)-2-carboxy-1-({2-[(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}phenyl)formamido]ethyl}carbamoyl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2S)-2-[4-(1-{6-[({[(2R,3S,5S)-3-[({[(2R,3S,5S)-5-{2-[(4-{2-[4-(dicyanomethylidene)-6-methyl-4H-pyran-2-yl]ethenyl}phenyl)(methyl)amino]ethoxy}-3-{[hydroxy({[(2R,3S,5S)-3-({hydroxy[3-({hydroxy[3-(phosphonooxy)propoxy]phosphoryl}oxy)propoxy]phosphoryl}oxy)-5-(pyren-1-yl)oxolan-2-yl]methoxy})phosphoryl]peroxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)peroxy]-5-(pyren-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]hexyl}-1H-1,2,3-triazol-4-yl)butanamido]-4-methylpentanamido]butanoic acid
- N-[4-[1-[6-[[[3-O-[[[3-O-[[[3-O-[[3-[[3-(Phosphonooxy)propoxy]phosphonyloxy]propoxy]phosphonyl]-1-(1-pyrenyl)-1,2-dideoxy-alpha-D-erythro-pentofuranose]-5-O-yl]phosphonyloxy]-1-O-[2-[methyl[4-[2-[4-(dicyanomethylene)-6-methyl-4H-pyran-2-yl]ethenyl]phenyl]amino]ethyl]-2-deoxy-alpha-D-erythro-pentofuranose]-5-O-yl]phosphonyloxy]-1-(1-pyrenyl)-1,2-dideoxy-alpha-D-erythro-pentofuranose]-5-O-yl]phosphonyloxy]hexyl]-1H-1,2,3-triazole-4-yl]butyryl]-Leu-Glu-His-Asp-[2-[4-[4-(dimethylamino)phenylazo]benzoylamino]ethyl]NH2 ester