Products 87759-89-5

CAS 87759-89-5 appears in our catalog under these names: Octreotide Acetate Impurity 13, Octreotide Impurity 10 (Octreotide(6-D-Thr)). Offered by: Hubei YoungXin, Chemat Brand. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, on request.

Octreotide Acetate Impurity 13
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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Octreotide Impurity 10 (Octreotide(6-D-Thr))
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(4R,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1S)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;2,2,2-trifluoroacetic acid (CAS 87759-89-5) is a chemical compound with the molecular formula C51H67F3N10O12S2 and a molecular weight of 1133.3 g/mol. IUPAC name: (4R,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1S)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;2,2,2-trifluoroacetic acid. InChIKey: MKNNOKGPGMXZPN-ZKRKAJPISA-N.

Identity
Molecular formulaC51H67F3N10O12S2
Molecular weight1133.3 g/mol
IUPAC name(4R,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1S)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;2,2,2-trifluoroacetic acid
InChIKeyMKNNOKGPGMXZPN-ZKRKAJPISA-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)N[C@H](CO)[C@@H](C)O)O.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)

Synonyms: Octreotide Impurity 13(Octreotide(6-D-Thr))