N-[3,3-dimethyl-7-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-[2-(ethylcarbamoylamino)ethanoylamino]-2-phenyl-ethanamide

Systemtic Name: N-[3,3-dimethyl-7-oxidanylidene-2-(2H-1,2,3,4-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-[2-(ethylcarbamoylamino)ethanoylamino]-2-phenyl-ethanamide Openeye Name: N-[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-[[2-(ethylcarbamoylamino)acetyl]amino]-2-phenyl-acetamide CAS Name: N-[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-[[2-(ethylcarbamoylamino)-1-oxoethyl]amino]-2-phenylacetamide IUPAC Name: N-[3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-[[2-(ethylcarbamoylamino)acetyl]amino]-2-phenylacetamide Traditional Name: 2-[[2-(ethylcarbamoylamino)acetyl]amino]-N-[7-keto-3,3-dimethyl-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenyl-acetamide Formula: C21H27N9O4S MolecularWeight: 501.56198

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C4=NNN=N4

Isomeric SMILES

CCNC(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C4=NNN=N4

InChI

InChI=1S/C21H27N9O4S/c1-4-22-20(34)23-10-12(31)24-13(11-8-6-5-7-9-11)17(32)25-14-18(33)30-15(16-26-28-29-27-16)21(2,3)35-19(14)30/h5-9,13-15,19H,4,10H2,1-3H3,(H,24,31)(H,25,32)(H2,22,23,34)(H,26,27,28,29)