2-[butoxycarbonyl-(4-methylphenyl)sulfonyl-amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[butoxycarbonyl-(4-methylphenyl)sulfonyl-amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[butoxycarbonyl(p-tolylsulfonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[butoxy(oxo)methyl]-(4-methylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[butoxycarbonyl-(4-methylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[butoxycarbonyl(tosyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(C(CC1=CN=CN1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC(=O)N(C(CC1=CN=CN1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H23N3O6S/c1-3-4-9-27-18(24)21(16(17(22)23)10-14-11-19-12-20-14)28(25,26)15-7-5-13(2)6-8-15/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,20)(H,22,23)