Products 2790413-59-9
CAS 2790413-59-9 is the registry number for PNT2001, 98.72%. Offered by: MedChemExpress. Available pack sizes: 10 mg, 50 mg, 1 mg, 25 mg, 100 mg, 5 mg.
5-[[(2R)-1-[[(5R)-5-[[(2R)-2-[[(2R)-2-[[(2S)-3-(4-aminophenyl)-2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-carboxypentyl]amino]-4-[[(4R)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]butyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]benzene-1,3-dicarboxylic acid (CAS 2790413-59-9) is a chemical compound with the molecular formula C85H107N15O32 and a molecular weight of 1850.8 g/mol. IUPAC name: 5-[[(2R)-1-[[(5R)-5-[[(2R)-2-[[(2R)-2-[[(2S)-3-(4-aminophenyl)-2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-carboxypentyl]amino]-4-[[(4R)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]butyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]benzene-1,3-dicarboxylic acid. InChIKey: YPKWNBDTFXWSLZ-CHJDRSDMSA-N.
| Molecular formula | C85H107N15O32 |
|---|---|
| Molecular weight | 1850.8 g/mol |
| IUPAC name | 5-[[(2R)-1-[[(5R)-5-[[(2R)-2-[[(2R)-2-[[(2S)-3-(4-aminophenyl)-2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-carboxypentyl]amino]-4-[[(4R)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]butyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]benzene-1,3-dicarboxylic acid |
| InChIKey | YPKWNBDTFXWSLZ-CHJDRSDMSA-N |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)[C@H](CCC(=O)N[C@@H](CC2=CC=C(C=C2)N)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@H](CC4=CC5=CC=CC=C5C=C4)C(=O)N[C@H](CCCCNC(=O)[C@@H](CC(=O)NCCC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C6=CC(=CC(=C6)C(=O)O)C(=O)O)C(=O)O)C(=O)O)CC(=O)O |
Computed by PubChem (NCBI)
Synonyms:
orb3027587