CAS 58740-15-1 to numer rejestracyjny substancji Crotamine. Oferty producentów: Creative Peptides, Biosynth. Dostępne opakowania: on request, 1mg.
3-[(1R,2aS,4S,5aS,8aS,10S,15aR,16S,19S,22S,25S,28S,34S,37S,40S,43R,46S,49S,52S,55S,58S,61R,66R,69S,72S,75S,84S,87R,90S,96S,99S)-66-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-15a-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-5a,34,58,72,75,99-hexakis(4-aminobutyl)-28,90-dibenzyl-8a-[(2S)-butan-2-yl]-46,52-bis(3-carbamimidamidopropyl)-25,40-bis(carboxymethyl)-19,22-bis(hydroxymethyl)-69,84-bis(1H-imidazol-5-ylmethyl)-49,55-bis(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-37-(2-methylsulfanylethyl)-a,2,3a,5,6a,9a,11,17,17a,20,23,26,29,32,35,38,41,44,47,50,53,56,59,67,70,73,76,79,82,85,88,91,97-tritriacontaoxo-12a,13a,19a,20a,63,64-hexathia-1a,3,4a,6,7a,10a,12,16a,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,68,71,74,77,80,83,86,89,92,98-tritriacontazahexacyclo[59.49.7.443,87.06,10.012,16.092,96]henicosahectan-2a-yl]propanoic acid (CAS 58740-15-1) to związek chemiczny o wzorze sumarycznym C214H326N64O54S7 i masie molowej 4884 g/mol. Nazwa systematyczna IUPAC: 3-[(1R,2aS,4S,5aS,8aS,10S,15aR,16S,19S,22S,25S,28S,34S,37S,40S,43R,46S,49S,52S,55S,58S,61R,66R,69S,72S,75S,84S,87R,90S,96S,99S)-66-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-15a-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-5a,34,58,72,75,99-hexakis(4-aminobutyl)-28,90-dibenzyl-8a-[(2S)-butan-2-yl]-46,52-bis(3-carbamimidamidopropyl)-25,40-bis(carboxymethyl)-19,22-bis(hydroxymethyl)-69,84-bis(1H-imidazol-5-ylmethyl)-49,55-bis(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-37-(2-methylsulfanylethyl)-a,2,3a,5,6a,9a,11,17,17a,20,23,26,29,32,35,38,41,44,47,50,53,56,59,67,70,73,76,79,82,85,88,91,97-tritriacontaoxo-12a,13a,19a,20a,63,64-hexathia-1a,3,4a,6,7a,10a,12,16a,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,68,71,74,77,80,83,86,89,92,98-tritriacontazahexacyclo[59.49.7.443,87.06,10.012,16.092,96]henicosahectan-2a-yl]propanoic acid. InChIKey: PEFQQQGFYPMQLH-WFQFKEFWSA-N.
| Wzór sumaryczny | C214H326N64O54S7 |
|---|---|
| Masa molowa | 4884 g/mol |
| Nazwa IUPAC | 3-[(1R,2aS,4S,5aS,8aS,10S,15aR,16S,19S,22S,25S,28S,34S,37S,40S,43R,46S,49S,52S,55S,58S,61R,66R,69S,72S,75S,84S,87R,90S,96S,99S)-66-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-15a-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-5a,34,58,72,75,99-hexakis(4-aminobutyl)-28,90-dibenzyl-8a-[(2S)-butan-2-yl]-46,52-bis(3-carbamimidamidopropyl)-25,40-bis(carboxymethyl)-19,22-bis(hydroxymethyl)-69,84-bis(1H-imidazol-5-ylmethyl)-49,55-bis(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-37-(2-methylsulfanylethyl)-a,2,3a,5,6a,9a,11,17,17a,20,23,26,29,32,35,38,41,44,47,50,53,56,59,67,70,73,76,79,82,85,88,91,97-tritriacontaoxo-12a,13a,19a,20a,63,64-hexathia-1a,3,4a,6,7a,10a,12,16a,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,68,71,74,77,80,83,86,89,92,98-tritriacontazahexacyclo[59.49.7.443,87.06,10.012,16.092,96]henicosahectan-2a-yl]propanoic acid |
| InChIKey | PEFQQQGFYPMQLH-WFQFKEFWSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[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)NCC(=O)NCC(=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)N3)CCCCN)CC4=CNC5=CC=CC=C54)CCCNC(=N)N)CC6=CNC7=CC=CC=C76)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@@H]9CCCN9C(=O)[C@@H](NC2=O)CC(C)C)CO)CO)CC(=O)O)CC2=CC=CC=C2)CCCCN)CCSC)CC(=O)O)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CCC(=O)O)CCCCN)CC1=CC=CC=C1)CC1=CN=CN1)CCCCN)CCCCN)CC1=CN=CN1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O |
Dane obliczone przez PubChem (NCBI)