2-(butanoylamino)-3-[2-butyl-3-[(4-nitrophenyl)methyl]-1,2-dihydroimidazol-4-yl]propanoic acid

Systemtic Name: 2-(butanoylamino)-3-[2-butyl-3-[(4-nitrophenyl)methyl]-1,2-dihydroimidazol-4-yl]propanoic acid Openeye Name: 2-(butanoylamino)-3-[2-butyl-3-[(4-nitrophenyl)methyl]-1,2-dihydroimidazol-4-yl]propanoic acid CAS Name: 3-[2-butyl-3-[(4-nitrophenyl)methyl]-1,2-dihydroimidazol-4-yl]-2-(1-oxobutylamino)propanoic acid IUPAC Name: 2-(butanoylamino)-3-[2-butyl-3-[(4-nitrophenyl)methyl]-1,2-dihydroimidazol-4-yl]propanoic acid Traditional Name: 3-[2-butyl-3-(4-nitrobenzyl)-4-imidazolin-4-yl]-2-butyramido-propionic acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC(C(=O)O)NC(=O)CCC

Isomeric SMILES

CCCCC1NC=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC(C(=O)O)NC(=O)CCC

InChI

InChI=1S/C21H30N4O5/c1-3-5-7-19-22-13-17(12-18(21(27)28)23-20(26)6-4-2)24(19)14-15-8-10-16(11-9-15)25(29)30/h8-11,13,18-19,22H,3-7,12,14H2,1-2H3,(H,23,26)(H,27,28)