methyl 2-(isoquinolin-5-ylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 2-(isoquinolin-5-ylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-(tert-butoxycarbonylamino)-2-(5-isoquinolylsulfonylamino)propanoate CAS Name: 2-(5-isoquinolinylsulfonylamino)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-(isoquinolin-5-ylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)-2-(5-isoquinolylsulfonylamino)propionic acid methyl ester Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C(=O)OC)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C(=O)OC)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

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