3-[4-(2-azanylethylsulfanylmethyl)pyridin-3-yl]sulfanyl-7-[(3E)-3-(6-azanyl-1H-pyridin-2-ylidene)-3-nitroso-2-oxidanylidene-propyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[4-(2-azanylethylsulfanylmethyl)pyridin-3-yl]sulfanyl-7-[(3E)-3-(6-azanyl-1H-pyridin-2-ylidene)-3-nitroso-2-oxidanylidene-propyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[4-(2-aminoethylsulfanylmethyl)-3-pyridyl]sulfanyl]-7-[(3E)-3-(6-amino-1H-pyridin-2-ylidene)-3-nitroso-2-oxo-propyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[4-[(2-aminoethylthio)methyl]-3-pyridinyl]thio]-7-[(3E)-3-(6-amino-1H-pyridin-2-ylidene)-3-nitroso-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[4-(2-aminoethylsulfanylmethyl)pyridin-3-yl]sulfanyl-7-[(3E)-3-(6-amino-1H-pyridin-2-ylidene)-3-nitroso-2-oxopropyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[4-[(2-aminoethylthio)methyl]-3-pyridyl]thio]-7-[(3E)-3-(6-amino-1H-pyridin-2-ylidene)-2-keto-3-nitroso-propyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H24N6O5S3 MolecularWeight: 560.66886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)CC(=O)C(=C3C=CC=C(N3)N)N=O)C(=O)O)SC4=C(C=CN=C4)CSCCN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)CC(=O)/C(=C\3/C=CC=C(N3)N)/N=O)C(=O)O)SC4=C(C=CN=C4)CSCCN

InChI

InChI=1S/C23H24N6O5S3/c24-5-7-35-10-12-4-6-26-9-16(12)37-17-11-36-22-13(21(31)29(22)20(17)23(32)33)8-15(30)19(28-34)14-2-1-3-18(25)27-14/h1-4,6,9,13,22,27H,5,7-8,10-11,24-25H2,(H,32,33)/b19-14+