CAS 85205-49-8 is the registry number for Noxiustoxin. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-[(1R,4S,4aS,7R,12R,15S,18S,21S,24S,30S,33S,36S,42S,45S,48R,53R,56S,59S,65S,68S,71S,74R,81S,87S,90S,95S,98S)-53-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4,15,45,68,81,98-hexakis(4-aminobutyl)-7-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-87-(2-amino-2-oxoethyl)-71-(3-amino-3-oxopropyl)-56-[(1R)-1-hydroxyethyl]-30,33,59,95-tetrakis(hydroxymethyl)-24-[(4-hydroxyphenyl)methyl]-36,42-dimethyl-21-(2-methylpropyl)-90-(2-methylsulfanylethyl)-2,5,5a,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,66,69,72,80,83,86,89,92,93,96,99-nonacosaoxo-9,10,50,51,76,77-hexathia-a,3,6,6a,14,17,20,23,26,29,32,35,38,41,44,47,55,58,61,67,70,73,79,82,85,88,91,94,97-nonacosazapentacyclo[46.30.14.1412,74.061,65.0100,104]hexahectan-18-yl]propanoic acid (CAS 85205-49-8) is a chemical compound with the molecular formula C174H286N52O54S7 and a molecular weight of 4195 g/mol. IUPAC name: 3-[(1R,4S,4aS,7R,12R,15S,18S,21S,24S,30S,33S,36S,42S,45S,48R,53R,56S,59S,65S,68S,71S,74R,81S,87S,90S,95S,98S)-53-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4,15,45,68,81,98-hexakis(4-aminobutyl)-7-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-87-(2-amino-2-oxoethyl)-71-(3-amino-3-oxopropyl)-56-[(1R)-1-hydroxyethyl]-30,33,59,95-tetrakis(hydroxymethyl)-24-[(4-hydroxyphenyl)methyl]-36,42-dimethyl-21-(2-methylpropyl)-90-(2-methylsulfanylethyl)-2,5,5a,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,66,69,72,80,83,86,89,92,93,96,99-nonacosaoxo-9,10,50,51,76,77-hexathia-a,3,6,6a,14,17,20,23,26,29,32,35,38,41,44,47,55,58,61,67,70,73,79,82,85,88,91,94,97-nonacosazapentacyclo[46.30.14.1412,74.061,65.0100,104]hexahectan-18-yl]propanoic acid. InChIKey: FQKNZJLPBMOCKU-ZDGDVGGMSA-N.
| Molecular formula | C174H286N52O54S7 |
|---|---|
| Molecular weight | 4195 g/mol |
| IUPAC name | 3-[(1R,4S,4aS,7R,12R,15S,18S,21S,24S,30S,33S,36S,42S,45S,48R,53R,56S,59S,65S,68S,71S,74R,81S,87S,90S,95S,98S)-53-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4,15,45,68,81,98-hexakis(4-aminobutyl)-7-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-87-(2-amino-2-oxoethyl)-71-(3-amino-3-oxopropyl)-56-[(1R)-1-hydroxyethyl]-30,33,59,95-tetrakis(hydroxymethyl)-24-[(4-hydroxyphenyl)methyl]-36,42-dimethyl-21-(2-methylpropyl)-90-(2-methylsulfanylethyl)-2,5,5a,13,16,19,22,25,28,31,34,37,40,43,46,54,57,60,66,69,72,80,83,86,89,92,93,96,99-nonacosaoxo-9,10,50,51,76,77-hexathia-a,3,6,6a,14,17,20,23,26,29,32,35,38,41,44,47,55,58,61,67,70,73,79,82,85,88,91,94,97-nonacosazapentacyclo[46.30.14.1412,74.061,65.0100,104]hexahectan-18-yl]propanoic acid |
| InChIKey | FQKNZJLPBMOCKU-ZDGDVGGMSA-N |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC3=O)CCCCN)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)C)C)CO)CO)CC6=CC=C(C=C6)O)CC(C)C)CCC(=O)O)CCCCN)CCCCN)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)CO)CCCCN)CCC(=O)N)CCCCN)CC(=O)N)CCSC)NC(=O)[C@H]([C@@H](C)O)N |
Computed by PubChem (NCBI)