(2S,5R,6R)-6-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-4,4-dimethyl-pent-2-enoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-4,4-dimethyl-pent-2-enoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[(Z)-2-(2-aminothiazol-4-yl)-4,4-dimethyl-pent-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[(Z)-2-(2-amino-4-thiazolyl)-4,4-dimethyl-1-oxopent-2-enyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4,4-dimethylpent-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[[(Z)-2-(2-aminothiazol-4-yl)-4,4-dimethyl-pent-2-enoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(=CC(C)(C)C)C3=CSC(=N3)N)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)/C(=C\C(C)(C)C)/C3=CSC(=N3)N)C(=O)O)C

InChI

InChI=1S/C18H24N4O4S2/c1-17(2,3)6-8(9-7-27-16(19)20-9)12(23)21-10-13(24)22-11(15(25)26)18(4,5)28-14(10)22/h6-7,10-11,14H,1-5H3,(H2,19,20)(H,21,23)(H,25,26)/b8-6-/t10-,11+,14-/m1/s1