Products 3047557-92-3
CAS 3047557-92-3 is the registry number for ADP-ribose/PARP-IN-1. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[3-[[(2R)-3-carboxy-2-[[(2R)-2-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-6-[[8-[[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]-8-oxooctanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoylamino]methyl]cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid (CAS 3047557-92-3) is a chemical compound with the molecular formula C92H125FN16O26 and a molecular weight of 1890.1 g/mol. IUPAC name: (2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[3-[[(2R)-3-carboxy-2-[[(2R)-2-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-6-[[8-[[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]-8-oxooctanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoylamino]methyl]cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid. InChIKey: WMUVSCHVKPFEDP-UELDCRRTSA-N.
| Molecular formula | C92H125FN16O26 |
|---|---|
| Molecular weight | 1890.1 g/mol |
| IUPAC name | (2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[[4-[[3-[[(2R)-3-carboxy-2-[[(2R)-2-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-6-[[8-[[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]-8-oxooctanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoylamino]methyl]cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid |
| InChIKey | WMUVSCHVKPFEDP-UELDCRRTSA-N |
| SMILES | CN(CC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2)C(=O)CCCCCCC(=O)NCCCC[C@H](C(=O)N[C@H](CC(=O)O)C(=O)NCCC(=O)NCC5CCC(CC5)C(=O)N[C@@H](CC6=CC7=CC=CC=C7C=C6)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CCC(C(=O)O)N8CCN(CCN(CCN(CC8)CC(=O)O)CC(=O)O)CC(=O)O |
Computed by PubChem (NCBI)
Synonyms:
orb3135767