((ring-D5)Phe3)-Octreotide

cas: 1134880-79-7 — see every product listed under this CAS number, including other names

((ring-D5)Phe3)-Octreotide (CAS 1134880-79-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Creative Peptides.

brandCreative Peptides
catalog numberCP-O1003
cas1134880-79-7
sizeon request
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Structural formula: {0} (CAS {1})

Acetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide (CAS 1134880-79-7) is a chemical compound with the molecular formula C51H70N10O12S2 and a molecular weight of 1084.3 g/mol. IUPAC name: acetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide. InChIKey: XQEJFZYLWPSJOV-RQANEZAXSA-N.

Identity
Molecular formulaC51H70N10O12S2
Molecular weight1084.3 g/mol
IUPAC nameacetic acid;(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-[(2,3,4,5,6-pentadeuteriophenyl)methyl]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
InChIKeyXQEJFZYLWPSJOV-RQANEZAXSA-N
SMILES[2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2)NC(=O)[C@@H](CC3=CC=CC=C3)N)C(=O)N[C@H](CO)[C@@H](C)O)[C@@H](C)O)CCCCN)CC4=CNC5=CC=CC=C54)[2H])[2H].CC(=O)O

Computed by PubChem (NCBI)

Synonyms: ([ring-D5]Phe3)-Octreotide Acetate, H-D-Phe-Cys-[ring-D5]Phe-D-Trp-Lys-Thr-Cys-L-threoninol

Also listed as

((ring–D₅)Phe³)–Octreotide GLPBio CAS 1134880-79-7
((ring-D5)Phe3)-Octreotide acetate salt Biosynth CAS 1134880-79-7