Acetyl-Octreotide

cas: 83795-61-3 — see every product listed under this CAS number, including other names

Acetyl-Octreotide (CAS 83795-61-3) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas83795-61-3
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Structural formula: {0} (CAS {1})

(4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide (CAS 83795-61-3) is a chemical compound with the molecular formula C51H68N10O11S2 and a molecular weight of 1061.3 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide. InChIKey: MXXTWEOVDHOTKS-WSBRKJKKSA-N.

Identity
Molecular formulaC51H68N10O11S2
Molecular weight1061.3 g/mol
IUPAC name(4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
InChIKeyMXXTWEOVDHOTKS-WSBRKJKKSA-N
SMILESC[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)C)C(=O)N[C@H](CO)[C@@H](C)O)O

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