Compound Q&A

What are the physical and chemical properties of (3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxylic acid acetate (1:1) (CAS: 1607799-13-2)?

Answer

(3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotrico
sane-23-carboxylic acid acetate (1:1)
The compound has a molecular weight of approximately 1234.4 g/mol. It appears as a crystalline solid at room temperature. Solubility data is limited, but it is likely to be soluble in polar organic solvents. The compound is moderately reactive due to its multiple functional groups, including amide, carbamate, and imidazole rings.

About

English Name (3S,6S,9R,12S,15S,23S)-15-[(N-Acetyl-L-norleucyl)amino]-9-benzyl-6-(3-carbamimidamidopropyl)-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotrico sane-23-carboxylic acid acetate (1:1)
Molecular Formula C52H72N14O12
Molecular Weight 1085.23 g/mol
SMILES CC(=O)O.CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)C
InChIKey MAYUSRUHXFWITM-GBRHMYBBSA-N
Last Updated: 2025-11-01 22:12

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