[4-(2-azanyl-2-azanylidene-ethyl)phenyl] 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: [4-(2-azanyl-2-azanylidene-ethyl)phenyl] 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; 4-methylbenzenesulfonic acid Openeye Name: [4-(2-amino-2-imino-ethyl)phenyl] 2-(tert-butoxycarbonylamino)-2-methyl-propanoate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [4-(2-amino-2-iminoethyl)phenyl] ester IUPAC Name: [4-(2-amino-2-iminoethyl)phenyl] 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-methyl-propionic acid [4-(2-amino-2-imino-ethyl)phenyl] ester; tosylic acid Formula: C24H33N3O7S MolecularWeight: 507.59972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC(C)(C)C(=O)OC1=CC=C(C=C1)CC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC(C)(C)C(=O)OC1=CC=C(C=C1)CC(=N)N

InChI

InChI=1S/C17H25N3O4.C7H8O3S/c1-16(2,3)24-15(22)20-17(4,5)14(21)23-12-8-6-11(7-9-12)10-13(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,10H2,1-5H3,(H3,18,19)(H,20,22);2-5H,1H3,(H,8,9,10)