2-[(4-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-[(4-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-2-methyl-butyl)amino]-3-(3-benzylimidazol-4-yl)propanoic acid CAS Name: 2-[(4-methyl-2-oxohexan-3-yl)amino]-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(3-benzylimidazol-4-yl)-2-[(4-methyl-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-2-methyl-butyl)amino]-3-(3-benzylimidazol-4-yl)propionic acid Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C)NC(CC1=CN=CN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C)C(C(=O)C)NC(CC1=CN=CN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H27N3O3/c1-4-14(2)19(15(3)24)22-18(20(25)26)10-17-11-21-13-23(17)12-16-8-6-5-7-9-16/h5-9,11,13-14,18-19,22H,4,10,12H2,1-3H3,(H,25,26)