3-[2-[2-[(2-azanyl-3-methyl-butanoyl)amino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-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-carboxylate

Systemtic Name: 3-[2-[2-[(2-azanyl-3-methyl-butanoyl)amino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-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-carboxylate Openeye Name: 3-[[2-[2-[(2-amino-3-methyl-butanoyl)amino]ethylsulfanylmethyl]-3-pyridyl]sulfanyl]-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-carboxylate CAS Name: 3-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]ethylthio]methyl]-3-pyridinyl]thio]-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-carboxylate IUPAC Name: 3-[2-[2-[(2-amino-3-methylbutanoyl)amino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-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-carboxylate Traditional Name: 3-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]ethylthio]methyl]-3-pyridyl]thio]-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-carboxylate Formula: C24H28N9O6S4- MolecularWeight: 666.79582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=C(C=CC=N1)SC2=C(N3C(C(C3=O)NC(=O)C(=C4NSC(=N4)N)N=O)SC2)C(=O)[O-])N

Isomeric SMILES

CC(C)C(C(=O)NCCSCC1=C(C=CC=N1)SC2=C(N3C(C(C3=O)NC(=O)/C(=C/4\NSC(=N4)N)/N=O)SC2)C(=O)[O-])N

InChI

InChI=1S/C24H29N9O6S4/c1-10(2)14(25)19(34)28-6-7-40-8-11-12(4-3-5-27-11)42-13-9-41-22-16(21(36)33(22)17(13)23(37)38)29-20(35)15(31-39)18-30-24(26)43-32-18/h3-5,10,14,16,22,32H,6-9,25H2,1-2H3,(H2,26,30)(H,28,34)(H,29,35)(H,37,38)/p-1/b18-15+