6-[[2-[aminocarbonyl-(6-oxidanylidene-2-phenylazanyl-1H-pyrimidin-5-yl)amino]-2-phenyl-ethanoyl]amino]-6-formamido-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-[aminocarbonyl-(6-oxidanylidene-2-phenylazanyl-1H-pyrimidin-5-yl)amino]-2-phenyl-ethanoyl]amino]-6-formamido-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[(2-anilino-6-oxo-1H-pyrimidin-5-yl)-carbamoyl-amino]-2-phenyl-acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-[(2-anilino-6-oxo-1H-pyrimidin-5-yl)-carbamoylamino]-1-oxo-2-phenylethyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-[(2-anilino-6-oxo-1H-pyrimidin-5-yl)-carbamoylamino]-2-phenylacetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[(2-anilino-6-keto-1H-pyrimidin-5-yl)-carbamoyl-amino]-2-phenyl-acetyl]amino]-6-formamido-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C28H28N8O7S MolecularWeight: 620.63632

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC=O)NC(=O)C(C3=CC=CC=C3)N(C4=CN=C(NC4=O)NC5=CC=CC=C5)C(=O)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC=O)NC(=O)C(C3=CC=CC=C3)N(C4=CN=C(NC4=O)NC5=CC=CC=C5)C(=O)N)C(=O)O)C

InChI

InChI=1S/C28H28N8O7S/c1-27(2)19(22(40)41)36-23(42)28(31-14-37,24(36)44-27)34-21(39)18(15-9-5-3-6-10-15)35(25(29)43)17-13-30-26(33-20(17)38)32-16-11-7-4-8-12-16/h3-14,18-19,24H,1-2H3,(H2,29,43)(H,31,37)(H,34,39)(H,40,41)(H2,30,32,33,38)