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(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)(CAS: 1607799-13-2)

(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)
CAS Number

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Basic Information

Molecular Formula
C52H72N14O12
Molecular Weight
1085.23 g/mol

Chemical Identifiers

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

Database References

MDL Number
MFCD29472571

FAQ

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.
The compound is typically synthesized via multi-step reactions involving coupling of indole, amine, and carbamate precursors. Key steps include condensation reactions, amidation, and cyclization. Commonly used catalysts include organometallic reagents and solid-phase synthesis techniques.
This compound is primarily used in the pharmaceutical industry for its potential as a bioactive molecule. It may also find applications in the development of sensors and materials for their unique functional groups and molecular structure.
Handle the compound in a well-ventilated fume hood. Use appropriate personal protective equipment (PPE) such as gloves and lab coat. Spills should be cleaned up immediately using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Zhang Tianxiang

Email

zhangtianxiang@motifbiotech.com

Mobile

17626979057

Telephone

0512-66891115

Address

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