CAS 741730-12-1 is the registry number for Heteropodatoxin-2. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3S)-3-amino-4-[[(2S)-1-[[(1R,4S,7S,13S,16R,21R,27S,30S,33S,36S,42R,45S,48S,51S,54S,57S,65R,68S,71S,74S)-65-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-27-(4-aminobutyl)-51-(2-amino-2-oxoethyl)-33-benzyl-74-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-45,57-bis(carboxymethyl)-48-[(1R)-1-hydroxyethyl]-36-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-68-(1H-indol-3-ylmethyl)-54-methyl-30,71-bis(2-methylpropyl)-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,67,70,73,76,81-tricosaoxo-4-propan-2-yl-18,19,62,63,78,79-hexathia-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,66,69,72,75,82-tricosazatricyclo[40.34.4.216,60]dooctacontan-21-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid (CAS 741730-12-1) is a chemical compound with the molecular formula C144H207N39O46S6 and a molecular weight of 3412.8 g/mol. IUPAC name: (3S)-3-amino-4-[[(2S)-1-[[(1R,4S,7S,13S,16R,21R,27S,30S,33S,36S,42R,45S,48S,51S,54S,57S,65R,68S,71S,74S)-65-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-27-(4-aminobutyl)-51-(2-amino-2-oxoethyl)-33-benzyl-74-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-45,57-bis(carboxymethyl)-48-[(1R)-1-hydroxyethyl]-36-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-68-(1H-indol-3-ylmethyl)-54-methyl-30,71-bis(2-methylpropyl)-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,67,70,73,76,81-tricosaoxo-4-propan-2-yl-18,19,62,63,78,79-hexathia-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,66,69,72,75,82-tricosazatricyclo[40.34.4.216,60]dooctacontan-21-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid. InChIKey: DIRUWYNIROJXOZ-OALFVFHCSA-N.
| Molecular formula | C144H207N39O46S6 |
|---|---|
| Molecular weight | 3412.8 g/mol |
| IUPAC name | (3S)-3-amino-4-[[(2S)-1-[[(1R,4S,7S,13S,16R,21R,27S,30S,33S,36S,42R,45S,48S,51S,54S,57S,65R,68S,71S,74S)-65-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-27-(4-aminobutyl)-51-(2-amino-2-oxoethyl)-33-benzyl-74-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-45,57-bis(carboxymethyl)-48-[(1R)-1-hydroxyethyl]-36-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-68-(1H-indol-3-ylmethyl)-54-methyl-30,71-bis(2-methylpropyl)-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,67,70,73,76,81-tricosaoxo-4-propan-2-yl-18,19,62,63,78,79-hexathia-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,66,69,72,75,82-tricosazatricyclo[40.34.4.216,60]dooctacontan-21-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
| InChIKey | DIRUWYNIROJXOZ-OALFVFHCSA-N |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)NC2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)[C@@H](C)O)CC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3)C(C)C)CC4=CC=C(C=C4)O)CCC(=O)O)NC2=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N)CCCCN)CC(C)C)CC5=CC=CC=C5)CO)CCCNC(=N)N)CC(C)C)CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N)CC(=O)O |
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