(2S,5R,6R)-6-[[(2R)-2-[8-methoxycarbonyloxy-2,4-bis(oxidanylidene)-1,3-benzoxazin-3-yl]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[(2R)-2-[8-methoxycarbonyloxy-2,4-bis(oxidanylidene)-1,3-benzoxazin-3-yl]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[(2R)-2-(8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[(2R)-2-(8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-(8-methoxycarbonyloxy-2,4-dioxo-1,3-benzoxazin-3-yl)-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[[(2R)-2-(8-carbomethoxyoxy-2,4-diketo-1,3-benzoxazin-3-yl)-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C26H23N3O10S MolecularWeight: 569.53992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N4C(=O)C5=C(C(=CC=C5)OC(=O)OC)OC4=O)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N4C(=O)C5=C(C(=CC=C5)OC(=O)OC)OC4=O)C(=O)O)C

InChI

InChI=1S/C26H23N3O10S/c1-26(2)18(23(33)34)29-21(32)15(22(29)40-26)27-19(30)16(12-8-5-4-6-9-12)28-20(31)13-10-7-11-14(38-25(36)37-3)17(13)39-24(28)35/h4-11,15-16,18,22H,1-3H3,(H,27,30)(H,33,34)/t15-,16-,18+,22-/m1/s1