(2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-pentanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-pentanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-pentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methyl-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[2-(2-methoxyphenoxy)-2-methylpentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-7-keto-6-[[2-(2-methoxyphenoxy)-2-methyl-pentanoyl]amino]-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)OC3=CC=CC=C3OC

Isomeric SMILES

CCCC(C)(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3OC

InChI

InChI=1S/C21H28N2O6S/c1-6-11-21(4,29-13-10-8-7-9-12(13)28-5)19(27)22-14-16(24)23-15(18(25)26)20(2,3)30-17(14)23/h7-10,14-15,17H,6,11H2,1-5H3,(H,22,27)(H,25,26)/t14-,15+,17-,21?/m1/s1