(Tyr3,Lys5(Boc))octreotide acetate

cas: 147790-89-4 — see every product listed under this CAS number, including other names

(Tyr3,Lys5(Boc))octreotide acetate (CAS 147790-89-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Creative Peptides.

brandCreative Peptides
catalog numberCP-M34140653H
cas147790-89-4
sizeon request
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Structural formula: {0} (CAS {1})

Tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate (CAS 147790-89-4) is a chemical compound with the molecular formula C54H74N10O13S2 and a molecular weight of 1135.4 g/mol. IUPAC name: tert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate. InChIKey: BYNWFNXWMAFJGX-NQBVEBFXSA-N.

Identity
Molecular formulaC54H74N10O13S2
Molecular weight1135.4 g/mol
IUPAC nametert-butyl N-[4-[(4R,7S,10S,13R,16R,19R)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]butyl]carbamate
InChIKeyBYNWFNXWMAFJGX-NQBVEBFXSA-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)CCCCNC(=O)OC(C)(C)C)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@H](CO)[C@@H](C)O)O

Computed by PubChem (NCBI)