sodium 3-(dipropylamino)-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-(dipropylamino)-7-oxidanylidene-6-(2-phenylethanoylamino)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(dipropylamino)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(dipropylamino)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(dipropylamino)-7-oxo-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 3-(dipropylamino)-7-keto-6-[(2-phenylacetyl)amino]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C21H26N3NaO4 MolecularWeight: 407.43861

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(N2C(C1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCN(CCC)C1=C(N2C(C1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H27N3O4.Na/c1-3-10-23(11-4-2)16-13-15-18(20(26)24(15)19(16)21(27)28)22-17(25)12-14-8-6-5-7-9-14;/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,22,25)(H,27,28);/q;+1/p-1