α-Conotoxin AuIB

cas: 216299-21-7 — see every product listed under this CAS number, including other names

α-Conotoxin AuIB (CAS 216299-21-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Creative Peptides.

brandCreative Peptides
catalog numberCP-R1921
cas216299-21-7
sizeon request
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properties

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

2-[(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-[(2-aminoacetyl)amino]-18-(2-amino-2-oxoethyl)-27-benzyl-6-carbamoyl-21-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecazapentacyclo[28.20.7.012,16.033,37.039,43]heptapentacontan-9-yl]acetic acid (CAS 216299-21-7) is a chemical compound with the molecular formula C65H89N17O21S4 and a molecular weight of 1572.8 g/mol. IUPAC name: 2-[(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-[(2-aminoacetyl)amino]-18-(2-amino-2-oxoethyl)-27-benzyl-6-carbamoyl-21-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecazapentacyclo[28.20.7.012,16.033,37.039,43]heptapentacontan-9-yl]acetic acid. InChIKey: SVNSCQIKKAACJG-SBLJLSJOSA-N.

Identity
Molecular formulaC65H89N17O21S4
Molecular weight1572.8 g/mol
IUPAC name2-[(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-[(2-aminoacetyl)amino]-18-(2-amino-2-oxoethyl)-27-benzyl-6-carbamoyl-21-[(1R)-1-hydroxyethyl]-48-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-24-methyl-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecazapentacyclo[28.20.7.012,16.033,37.039,43]heptapentacontan-9-yl]acetic acid
InChIKeySVNSCQIKKAACJG-SBLJLSJOSA-N
SMILESC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)NC(=O)CN)C(=O)N[C@H](C(=O)N1)CC6=CC=CC=C6)CC7=CC=C(C=C7)O)CO)C(=O)N)CC(=O)O)CC(=O)N)[C@@H](C)O

Computed by PubChem (NCBI)

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