7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[(E)-[1-[2-(methylamino)ethyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[(E)-[1-[2-(methylamino)ethyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-[(E)-[1-[2-(methylamino)ethyl]-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[(E)-[1-[2-(methylamino)ethyl]-2-oxo-3-pyrrolidinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-[(E)-[1-[2-(methylamino)ethyl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-keto-3-[(E)-[2-keto-1-[2-(methylamino)ethyl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H22N8O6S2 MolecularWeight: 522.55798

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Descriptors Computed from Structure

Canonical SMILES:

CNCCN1CCC(=CC2=C(N3C(C(C3=O)NC(=O)C(=C4NSC(=N4)N)N=O)SC2)C(=O)O)C1=O

Isomeric SMILES

CNCCN1CC/C(=C\C2=C(N3C(C(C3=O)NC(=O)/C(=C/4\NSC(=N4)N)/N=O)SC2)C(=O)O)/C1=O

InChI

InChI=1S/C19H22N8O6S2/c1-21-3-5-26-4-2-8(15(26)29)6-9-7-34-17-11(16(30)27(17)12(9)18(31)32)22-14(28)10(24-33)13-23-19(20)35-25-13/h6,11,17,21,25H,2-5,7H2,1H3,(H2,20,23)(H,22,28)(H,31,32)/b8-6+,13-10+