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

Systemtic Name: 3-[(Z)-[1-(2-azanyl-2-azanylidene-ethyl)-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(Z)-[1-(2-amino-2-imino-ethyl)-2-oxo-pyrrolidin-3-ylidene]methyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(Z)-[1-(2-amino-2-iminoethyl)-2-oxo-3-pyrrolidinylidene]methyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(Z)-[1-(2-amino-2-iminoethyl)-2-oxopyrrolidin-3-ylidene]methyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(Z)-[1-(2-amino-2-imino-ethyl)-2-keto-pyrrolidin-3-ylidene]methyl]-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N9O6S2 MolecularWeight: 521.53016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1=CC2=C(N3C(C(C3=O)NC(=O)C(=C4NSC(=N4)N)N=O)SC2)C(=O)O)CC(=N)N

Isomeric SMILES

C\1CN(C(=O)/C1=C\C2=C(N3C(C(C3=O)NC(=O)/C(=C/4\NSC(=N4)N)/N=O)SC2)C(=O)O)CC(=N)N

InChI

InChI=1S/C18H19N9O6S2/c19-8(20)4-26-2-1-6(14(26)29)3-7-5-34-16-10(15(30)27(16)11(7)17(31)32)22-13(28)9(24-33)12-23-18(21)35-25-12/h3,10,16,25H,1-2,4-5H2,(H3,19,20)(H2,21,23)(H,22,28)(H,31,32)/b6-3-,12-9+