Products 1379574-10-3

CAS 1379574-10-3 is the registry number for 3-((4-(N,N'-Bis(tert-butoxycarbonyl)carbamimidoyl)piperazin-1-yl)methyl)-5-nitrobenzoic acid, 98%. Offered by: Chemat Brand. Available pack sizes: on request.

3-((4-(N,N'-Bis(tert-butoxycarbonyl)carbamimidoyl)piperazin-1-yl)methyl)-5-nitrobenzoic acid, 98%
Chemat Brand
  • size: on request
  • Variants: 1
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3-[[4-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]piperazin-1-yl]methyl]-5-nitrobenzoic acid (CAS 1379574-10-3) is a chemical compound with the molecular formula C23H33N5O8 and a molecular weight of 507.5 g/mol. IUPAC name: 3-[[4-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]piperazin-1-yl]methyl]-5-nitrobenzoic acid. InChIKey: ZEPCPNXUCHPQCN-UHFFFAOYSA-N.

Identity
Molecular formulaC23H33N5O8
Molecular weight507.5 g/mol
IUPAC name3-[[4-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]piperazin-1-yl]methyl]-5-nitrobenzoic acid
InChIKeyZEPCPNXUCHPQCN-UHFFFAOYSA-N
SMILESCC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1CCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
tert-butyl N-[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate C23H33N5O8
acetic acid;methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate C23H33N5O8