Products 79486-60-5

CAS 79486-60-5 appears in our catalog under these names: (Des–L–threoninol?)–Octreotide amide, Octreotide Impurity 1 Ditrifluoroacetate, Octreotide Acetate Impurity 3. Offered by: GLPBio, Chemat Brand, Hubei YoungXin. Available pack sizes: 5mg, 10mg, on request, 25mg, 50mg, 100mg, 200mg.

Structural formula: {0} (CAS {1})

(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-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-carboxamide (CAS 79486-60-5) is a chemical compound with the molecular formula C45H58N10O8S2 and a molecular weight of 931.1 g/mol. IUPAC name: (4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-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-carboxamide. InChIKey: PWRIWNRQEPOGNP-DYDSHOKNSA-N.

Identity
Molecular formulaC45H58N10O8S2
Molecular weight931.1 g/mol
IUPAC name(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-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-carboxamide
InChIKeyPWRIWNRQEPOGNP-DYDSHOKNSA-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)O

Computed by PubChem (NCBI)