Products 381725-58-2
CAS 381725-58-2 is the registry number for Conopeptide rho-TIA. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,36S,42S,45S,50R)-12,15-bis(4-aminobutyl)-21-(2-amino-2-oxoethyl)-9-benzyl-42-[(2S)-butan-2-yl]-24,27-bis(3-carbamimidamidopropyl)-6-carbamoyl-18-(1H-imidazol-5-ylmethyl)-33-methyl-45-(2-methylpropyl)-8,11,14,17,20,23,26,29,32,35,41,44,47,49-tetradecaoxo-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecazatricyclo[28.17.7.036,40]tetrapentacontan-50-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide (CAS 381725-58-2) is a chemical compound with the molecular formula C105H160N36O21S4 and a molecular weight of 2390.9 g/mol. IUPAC name: (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,36S,42S,45S,50R)-12,15-bis(4-aminobutyl)-21-(2-amino-2-oxoethyl)-9-benzyl-42-[(2S)-butan-2-yl]-24,27-bis(3-carbamimidamidopropyl)-6-carbamoyl-18-(1H-imidazol-5-ylmethyl)-33-methyl-45-(2-methylpropyl)-8,11,14,17,20,23,26,29,32,35,41,44,47,49-tetradecaoxo-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecazatricyclo[28.17.7.036,40]tetrapentacontan-50-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide. InChIKey: JOSBKXVAGAOPRY-WJKLNYSRSA-N.
| Molecular formula | C105H160N36O21S4 |
|---|---|
| Molecular weight | 2390.9 g/mol |
| IUPAC name | (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(1R,6R,9S,12S,15S,18S,21S,24S,27S,30R,33S,36S,42S,45S,50R)-12,15-bis(4-aminobutyl)-21-(2-amino-2-oxoethyl)-9-benzyl-42-[(2S)-butan-2-yl]-24,27-bis(3-carbamimidamidopropyl)-6-carbamoyl-18-(1H-imidazol-5-ylmethyl)-33-methyl-45-(2-methylpropyl)-8,11,14,17,20,23,26,29,32,35,41,44,47,49-tetradecaoxo-3,4,52,53-tetrathia-7,10,13,16,19,22,25,28,31,34,40,43,46,48-tetradecazatricyclo[28.17.7.036,40]tetrapentacontan-50-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanediamide |
| InChIKey | JOSBKXVAGAOPRY-WJKLNYSRSA-N |
| SMILES | CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CCCNC(=N)N)CC(=O)N)CC4=CN=CN4)CCCCN)CCCCN)CC5=CC=CC=C5)C(=O)N)C(=O)N[C@H](C(=O)N1)CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC8=CC=CC=C8)N)C |
Computed by PubChem (NCBI)
Synonyms:
Conopeptide rho-TIA, orb2277306