2-[2-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoyl-thiophen-2-yl-amino]propanoic acid

Systemtic Name: 2-[2-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanoyl-thiophen-2-yl-amino]propanoic acid Openeye Name: 2-[[2-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]acetyl]-(2-thienyl)amino]propanoic acid CAS Name: 2-[[2-[2-butyl-3-[(2-nitrophenyl)methyl]-4-imidazolyl]-1-oxoethyl]-thiophen-2-ylamino]propanoic acid IUPAC Name: 2-[[2-[2-butyl-3-[(2-nitrophenyl)methyl]imidazol-4-yl]acetyl]-thiophen-2-ylamino]propanoic acid Traditional Name: 2-[[2-[2-butyl-3-(2-nitrobenzyl)imidazol-4-yl]acetyl]-(2-thienyl)amino]propionic acid Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2[N+](=O)[O-])CC(=O)N(C3=CC=CS3)C(C)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2[N+](=O)[O-])CC(=O)N(C3=CC=CS3)C(C)C(=O)O

InChI

InChI=1S/C23H26N4O5S/c1-3-4-10-20-24-14-18(25(20)15-17-8-5-6-9-19(17)27(31)32)13-21(28)26(16(2)23(29)30)22-11-7-12-33-22/h5-9,11-12,14,16H,3-4,10,13,15H2,1-2H3,(H,29,30)