Compound Q&A

What are the physical and chemical properties of (3S,6R,11R,14S,20S,23S,31aS)-11-Amino-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14,17,20,23,26]dithiaoctaazacyclononacosine-6-carboxylic acid (CAS: 1392278-76-0)?

Answer

(3S,6R,11R,14S,20S,23S,31aS)-11-Amino-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14,17,20,23,26]dith
iaoctaazacyclononacosine-6-carboxylic acid
This compound exhibits a crystalline form with a molecular weight of approximately 1621.4 g/mol. It has limited water solubility, with a very low solubility in water (0.01 g/L at 25°C). The compound is highly reactive due to its multiple functional groups, particularly the carboxylic acid and amine functionalities. It is susceptible to hydrolysis and can react with bases and acids to form salts and derivatives.

About

English Name (3S,6R,11R,14S,20S,23S,31aS)-11-Amino-23-(4-aminobutyl)-14-(3-carbamimidamidopropyl)-3,20-bis(carboxymethyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2,5,8,11,14,17,20,23,26]dith iaoctaazacyclononacosine-6-carboxylic acid
Molecular Formula C35H57N13O14S2
Molecular Weight 948.05 g/mol
SMILES C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2C1)CCCCN)CC(=O)O)CCCNC(=N)N)N)C(=O)O)CC(=O)O
InChIKey YHTTWXCDIRTOQX-FQJIPJFPSA-N
Last Updated: 2025-11-05 07:29

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