Des-threoninol-octreotide

cas: 160841-00-9 — see every product listed under this CAS number, including other names

Des-threoninol-octreotide (CAS 160841-00-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas160841-00-9
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Structural formula: {0} (CAS {1})

(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-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-carboxylic acid (CAS 160841-00-9) is a chemical compound with the molecular formula C45H57N9O9S2 and a molecular weight of 932.1 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-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-carboxylic acid. InChIKey: KDRDDUWNTUSPFR-PYGGULKBSA-N.

Identity
Molecular formulaC45H57N9O9S2
Molecular weight932.1 g/mol
IUPAC name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-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-carboxylic acid
InChIKeyKDRDDUWNTUSPFR-PYGGULKBSA-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)N)C(=O)O)O

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