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

Systemtic Name: (2S,5R,6R)-6-[(2-azanyl-2-ethyl-butanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[(2-amino-2-ethyl-butanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[(2-amino-2-ethyl-1-oxobutyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[(2-amino-2-ethyl-butanoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C14H23N3O4S MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)N

Isomeric SMILES

CCC(CC)(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)N

InChI

InChI=1S/C14H23N3O4S/c1-5-14(15,6-2)12(21)16-7-9(18)17-8(11(19)20)13(3,4)22-10(7)17/h7-8,10H,5-6,15H2,1-4H3,(H,16,21)(H,19,20)/t7-,8+,10-/m1/s1