N,N'-bis(phenylmethyl)ethane-1,2-diamine; 3,3-dimethyl-6-(2-methylpropoxycarbonylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; 3,3-dimethyl-6-(2-methylpropoxycarbonylamino)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: N,N'-dibenzylethane-1,2-diamine; 6-(isobutoxycarbonylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; 3,3-dimethyl-6-[[2-methylpropoxy(oxo)methyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: N,N'-dibenzylethane-1,2-diamine; 3,3-dimethyl-6-(2-methylpropoxycarbonylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: benzyl-[2-(benzylamino)ethyl]amine; 6-(isobutoxycarbonylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C29H40N4O5S MolecularWeight: 556.7167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

InChI

InChI=1S/C16H20N2.C13H20N2O5S/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;1-6(2)5-20-12(19)14-7-9(16)15-8(11(17)18)13(3,4)21-10(7)15/h1-10,17-18H,11-14H2;6-8,10H,5H2,1-4H3,(H,14,19)(H,17,18)