3-[3-(aminocarbonylamino)-2-oxidanylidene-imidazolidin-1-yl]-6-methoxy-7-oxidanylidene-6-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid

Systemtic Name: 3-[3-(aminocarbonylamino)-2-oxidanylidene-imidazolidin-1-yl]-6-methoxy-7-oxidanylidene-6-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid Openeye Name: 6-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-6-methoxy-7-oxo-3-(2-oxo-3-ureido-imidazolidin-1-yl)-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid CAS Name: 3-[3-(carbamoylamino)-2-oxo-1-imidazolidinyl]-6-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid IUPAC Name: 3-[3-(carbamoylamino)-2-oxoimidazolidin-1-yl]-6-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid Traditional Name: 6-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-7-keto-3-(2-keto-3-ureido-imidazolidin-1-yl)-6-methoxy-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid Formula: C20H22N6O9S MolecularWeight: 522.48848

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)CC(S2)(C(=O)O)N3CCN(C3=O)NC(=O)N)NC(=O)C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1(C2N(C1=O)CC(S2)(C(=O)O)N3CCN(C3=O)NC(=O)N)NC(=O)C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H22N6O9S/c1-35-20(22-12(27)11(13(28)29)10-5-3-2-4-6-10)14(30)24-9-19(16(31)32,36-15(20)24)25-7-8-26(18(25)34)23-17(21)33/h2-6,11,15H,7-9H2,1H3,(H,22,27)(H,28,29)(H,31,32)(H3,21,23,33)