CAS 2416165-76-7 is the registry number for AB-3PRGD2. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2R)-2-[[(2R)-3-[1-[6-[2-[2-[2-[2-[3-[[(2S)-1,5-bis[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid (CAS 2416165-76-7) is a chemical compound with the molecular formula C137H215IN30O45S and a molecular weight of 3161.3 g/mol. IUPAC name: (2R)-2-[[(2R)-3-[1-[6-[2-[2-[2-[2-[3-[[(2S)-1,5-bis[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid. InChIKey: XWTZSZBTLBDMLZ-BZMBUDQKSA-N.
| Molecular formula | C137H215IN30O45S |
|---|---|
| Molecular weight | 3161.3 g/mol |
| IUPAC name | (2R)-2-[[(2R)-3-[1-[6-[2-[2-[2-[2-[3-[[(2S)-1,5-bis[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid |
| InChIKey | XWTZSZBTLBDMLZ-BZMBUDQKSA-N |
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)N[C@@H](CSC2CC(=O)N(C2=O)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N3)CC4=CC=CC=C4)CC(=O)O)CCCNC(=N)N)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]5C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N5)CC6=CC=CC=C6)CC(=O)O)CCCNC(=N)N)C(=O)N[C@H](CCCCNC(=O)CCCC7=CC=C(C=C7)I)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O |
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