7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[2-[2-[[2,4-bis(azanyl)-2-methyl-3-oxidanylidene-pentanoyl]amino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-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-[2-[2-[[2,4-bis(azanyl)-2-methyl-3-oxidanylidene-pentanoyl]amino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-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-[[2-[2-[(2,4-diamino-2-methyl-3-oxo-pentanoyl)amino]ethylsulfanylmethyl]-3-pyridyl]sulfanyl]-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-[[2-[[2-[(2,4-diamino-2-methyl-1,3-dioxopentyl)amino]ethylthio]methyl]-3-pyridinyl]thio]-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-[2-[2-[(2,4-diamino-2-methyl-3-oxopentanoyl)amino]ethylsulfanylmethyl]pyridin-3-yl]sulfanyl-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]-3-[[2-[[2-[(2,4-diamino-3-keto-2-methyl-pentanoyl)amino]ethylthio]methyl]-3-pyridyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H30N10O7S4 MolecularWeight: 710.8285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)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)N

Isomeric SMILES

CC(C(=O)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)N

InChI

InChI=1S/C25H30N10O7S4/c1-10(26)17(36)25(2,28)23(41)30-6-7-43-8-11-12(4-3-5-29-11)45-13-9-44-21-15(20(38)35(21)16(13)22(39)40)31-19(37)14(33-42)18-32-24(27)46-34-18/h3-5,10,15,21,34H,6-9,26,28H2,1-2H3,(H2,27,32)(H,30,41)(H,31,37)(H,39,40)/b18-14+