Erabutoxin A

cas: 11094-61-4 — see every product listed under this CAS number, including other names

Erabutoxin A (CAS 11094-61-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberLAA09461-10mg
cas11094-61-4
size10mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks

(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(3S,6S,9S,12S,18R,23R,26S,29S,32S,35S,41S)-18-[[2-[[(1R,2aR,4S,7S,9aS,10S,12aS,13S,15aS,16S,19S,21aS,22S,24aS,25S,28S,34S,37S,40S,43S,46S,52R,57R,60S,63S,66S,69S,72S,75S,81S,84S,87S,90S,93S,96S,99S)-10,63-bis(4-aminobutyl)-2a-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-7,96-bis(2-amino-2-oxoethyl)-13,72,81,93-tetrakis(3-amino-3-oxopropyl)-25,99-dibenzyl-37,40-bis[(2S)-butan-2-yl]-28,46-bis(3-carbamimidamidopropyl)-12a,43-bis(2-carboxyethyl)-22-(carboxymethyl)-34,60,66,69-tetrakis[(1R)-1-hydroxyethyl]-9a,15a,19,21a,84,87-hexakis(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-90-(1H-imidazol-5-ylmethyl)-16-(1H-indol-3-ylmethyl)-1a,2,5,8,8a,11,11a,14,14a,17,17a,20,20a,23,23a,26,29,29a,32,35,38,41,44,47,50,59,62,65,68,71,74,80,83,86,89,92,95,98-octatriacontaoxo-4a,5a,54,55-tetrathia-a,3,6,7a,9,10a,12,13a,15,16a,18,19a,21,22a,24,27,28a,30,33,36,39,42,45,48,51,58,61,64,67,70,73,79,82,85,88,91,94,97-octatriacontazatetracyclo[55.49.23.075,79.0124,128]nonacosahectane-52-carbonyl]amino]acetyl]amino]-3,32-bis(4-aminobutyl)-35-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-29-(2-methylpropyl)-2,5,8,11,17,25,28,31,34,37,40-undecaoxo-6-propan-2-yl-20,21-dithia-1,4,7,10,16,24,27,30,33,36,39-undecazatricyclo[39.3.0.012,16]tetratetracontane-23-carbonyl]amino]-10,16-bis(2-carboxyethyl)-13-(hydroxymethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoic acid (CAS 11094-61-4) is a chemical compound with the molecular formula C284H442N86O95S8 and a molecular weight of 6838 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(3S,6S,9S,12S,18R,23R,26S,29S,32S,35S,41S)-18-[[2-[[(1R,2aR,4S,7S,9aS,10S,12aS,13S,15aS,16S,19S,21aS,22S,24aS,25S,28S,34S,37S,40S,43S,46S,52R,57R,60S,63S,66S,69S,72S,75S,81S,84S,87S,90S,93S,96S,99S)-10,63-bis(4-aminobutyl)-2a-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-7,96-bis(2-amino-2-oxoethyl)-13,72,81,93-tetrakis(3-amino-3-oxopropyl)-25,99-dibenzyl-37,40-bis[(2S)-butan-2-yl]-28,46-bis(3-carbamimidamidopropyl)-12a,43-bis(2-carboxyethyl)-22-(carboxymethyl)-34,60,66,69-tetrakis[(1R)-1-hydroxyethyl]-9a,15a,19,21a,84,87-hexakis(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-90-(1H-imidazol-5-ylmethyl)-16-(1H-indol-3-ylmethyl)-1a,2,5,8,8a,11,11a,14,14a,17,17a,20,20a,23,23a,26,29,29a,32,35,38,41,44,47,50,59,62,65,68,71,74,80,83,86,89,92,95,98-octatriacontaoxo-4a,5a,54,55-tetrathia-a,3,6,7a,9,10a,12,13a,15,16a,18,19a,21,22a,24,27,28a,30,33,36,39,42,45,48,51,58,61,64,67,70,73,79,82,85,88,91,94,97-octatriacontazatetracyclo[55.49.23.075,79.0124,128]nonacosahectane-52-carbonyl]amino]acetyl]amino]-3,32-bis(4-aminobutyl)-35-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-29-(2-methylpropyl)-2,5,8,11,17,25,28,31,34,37,40-undecaoxo-6-propan-2-yl-20,21-dithia-1,4,7,10,16,24,27,30,33,36,39-undecazatricyclo[39.3.0.012,16]tetratetracontane-23-carbonyl]amino]-10,16-bis(2-carboxyethyl)-13-(hydroxymethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoic acid. InChIKey: SRWAKURFIXSMSY-YIPRCOCFSA-N.

Identity
Molecular formulaC284H442N86O95S8
Molecular weight6838 g/mol
IUPAC name(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19R)-19-[[(3S,6S,9S,12S,18R,23R,26S,29S,32S,35S,41S)-18-[[2-[[(1R,2aR,4S,7S,9aS,10S,12aS,13S,15aS,16S,19S,21aS,22S,24aS,25S,28S,34S,37S,40S,43S,46S,52R,57R,60S,63S,66S,69S,72S,75S,81S,84S,87S,90S,93S,96S,99S)-10,63-bis(4-aminobutyl)-2a-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-7,96-bis(2-amino-2-oxoethyl)-13,72,81,93-tetrakis(3-amino-3-oxopropyl)-25,99-dibenzyl-37,40-bis[(2S)-butan-2-yl]-28,46-bis(3-carbamimidamidopropyl)-12a,43-bis(2-carboxyethyl)-22-(carboxymethyl)-34,60,66,69-tetrakis[(1R)-1-hydroxyethyl]-9a,15a,19,21a,84,87-hexakis(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-90-(1H-imidazol-5-ylmethyl)-16-(1H-indol-3-ylmethyl)-1a,2,5,8,8a,11,11a,14,14a,17,17a,20,20a,23,23a,26,29,29a,32,35,38,41,44,47,50,59,62,65,68,71,74,80,83,86,89,92,95,98-octatriacontaoxo-4a,5a,54,55-tetrathia-a,3,6,7a,9,10a,12,13a,15,16a,18,19a,21,22a,24,27,28a,30,33,36,39,42,45,48,51,58,61,64,67,70,73,79,82,85,88,91,94,97-octatriacontazatetracyclo[55.49.23.075,79.0124,128]nonacosahectane-52-carbonyl]amino]acetyl]amino]-3,32-bis(4-aminobutyl)-35-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-26-(hydroxymethyl)-29-(2-methylpropyl)-2,5,8,11,17,25,28,31,34,37,40-undecaoxo-6-propan-2-yl-20,21-dithia-1,4,7,10,16,24,27,30,33,36,39-undecazatricyclo[39.3.0.012,16]tetratetracontane-23-carbonyl]amino]-10,16-bis(2-carboxyethyl)-13-(hydroxymethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoic acid
InChIKeySRWAKURFIXSMSY-YIPRCOCFSA-N
SMILESCC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NCC(=O)N1)CCCCN)C(C)C)[C@@H](C)O)NC(=O)CNC(=O)[C@@H]4CSSC[C@H]5C(=O)N6CCC[C@H]6C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N7CCC[C@H]7C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)[C@@H](C)O)CCCCN)[C@@H](C)O)[C@@H](C)O)CCC(=O)N)CCC(=O)N)CO)CO)CC8=CN=CN8)CCC(=O)N)CC(=O)N)CC9=CC=CC=C9)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N4)CCCNC(=N)N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)CCCNC(=N)N)CC1=CC=CC=C1)CC(=O)O)CO)CC1=CNC2=CC=CC=C21)CCC(=O)N)CCCCN)CC(=O)N)CC1=CC=C(C=C1)O)CO)CCC(=O)O)CO)CO)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)CO)CCC(=O)O)C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)CO)CC(C)C)CCCCN

Computed by PubChem (NCBI)