CAS 128126-46-5

Urea, [[[[(2R,5S)-5-[3-[(aminoiminomethyl)amino]propyl]hexahydro-1-methyl-3,7-dioxo-1H-1,4-diazepin-2-yl]methyl]amino]iminomethyl]-

Description:

The chemical substance with the name "Urea, [[[[(2R,5S)-5-[3-[(aminoiminomethyl)amino]propyl]hexahydro-1-methyl-3,7-dioxo-1H-1,4-diazepin-2-yl]methyl]amino]iminomethyl]-" and CAS number 128126-46-5 is a complex organic compound characterized by its multi-functional structure. It contains a urea moiety, which is known for its role in various biological processes and applications in agriculture and pharmaceuticals. The compound features a hexahydro-1-methyl-3,7-dioxo-1H-1,4-diazepin core, indicating potential biological activity, possibly as a drug or therapeutic agent. The presence of multiple amino groups suggests that it may engage in hydrogen bonding and interact with biological macromolecules, enhancing its potential as a ligand or enzyme inhibitor. The stereochemistry indicated by the (2R,5S) configuration implies specific spatial arrangements that could influence its reactivity and interaction with biological targets. Overall, this compound's unique structure may confer specific properties that are of interest in medicinal chemistry and drug design.

Formula: C₁₃H₂₅N₉O₃

InChI: InChI=1/C13H25N9O3/c1-22-9(6-19-20-7-18-13(16)25)11(24)21-8(5-10(22)23)3-2-4-17-12(14)15/h7-9,19H,2-6H2,1H3,(H,21,24)(H4,14,15,17)(H3,16,18,20,25)/t8-,9+/m0/s1

InChI key: InChIKey=WXDPPHZLBSPZOA-JGVFFNPUSA-N

SMILES: C(NC(NC(N)=O)=N)[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N1C

Synonyms:

• Urea, [[[[(2R,5S)-5-[3-[(aminoiminomethyl)amino]propyl]hexahydro-1-methyl-3,7-dioxo-1H-1,4-diazepin-2-yl]methyl]amino]iminomethyl]-
• 1H-1,4-Diazepine, urea deriv.
• Urea, [[[[5-[3-[(aminoiminomethyl)amino]propyl]hexahydro-1-methyl-3,7-dioxo-1H-1,4-diazepin-2-yl]methyl]amino]iminomethyl]-, (2R-trans)-
• TAN 1057C

TAN-1057C

CAS: 128126-46-5

TAN-1057C is a potent antibiotic with antimicrobial activity against both Gram-negative and Gram-positive bacteria, including Methicillin-resistant Staphylococcus aureus (MRSA).

Formula: C₁₃H₂₅N₉O₃

Color and Shape: Solid

Molecular weight: 355.4

Ref: TM-T201517