Indium In-111 pentetreotide

cas: 139096-04-1 — see every product listed under this CAS number, including other names

Indium In-111 pentetreotide (CAS 139096-04-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Creative Peptides.

brandCreative Peptides
catalog numberCP-10-101-336
cas139096-04-1
sizeon request
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purityNo data
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Structural formula: {0} (CAS {1})

2-[2-[2-[[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]propanedioate;indium-111(3+) (CAS 139096-04-1) is a chemical compound with the molecular formula C62H80InN12O19S2- and a molecular weight of 1472.4 g/mol. IUPAC name: 2-[2-[2-[[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]propanedioate;indium-111(3+). InChIKey: ZKZPXKKVDJOAIS-JWFOFJTQSA-J.

Identity
Molecular formulaC62H80InN12O19S2-
Molecular weight1472.4 g/mol
IUPAC name2-[2-[2-[[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]ethyl]propanedioate;indium-111(3+)
InChIKeyZKZPXKKVDJOAIS-JWFOFJTQSA-J
SMILESCC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN(CCN(CCC(C(=O)[O-])C(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(CO)C(C)O)O.[111In+3]

Computed by PubChem (NCBI)