7-[[2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(oxidanylamino)ethanoyl]amino]-3-[[2-(2-azanylethylamino)-4-(2-azanylethylsulfanylmethyl)-1,3-thiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[2-(2-azanyl-5-chloranyl-1,3-thiazol-4-yl)-2-(oxidanylamino)ethanoyl]amino]-3-[[2-(2-azanylethylamino)-4-(2-azanylethylsulfanylmethyl)-1,3-thiazol-5-yl]sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-amino-5-chloro-thiazol-4-yl)-2-(hydroxyamino)acetyl]amino]-3-[2-(2-aminoethylamino)-4-(2-aminoethylsulfanylmethyl)thiazol-5-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyamino)-1-oxoethyl]amino]-3-[[2-(2-aminoethylamino)-4-[(2-aminoethylthio)methyl]-5-thiazolyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(hydroxyamino)acetyl]amino]-3-[[2-(2-aminoethylamino)-4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-5-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(2-amino-5-chloro-thiazol-4-yl)-2-(hydroxyamino)acetyl]amino]-3-[[2-(2-aminoethylamino)-4-[(2-aminoethylthio)methyl]thiazol-5-yl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H26ClN9O5S5 MolecularWeight: 668.25574

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=C(SC(=N3)N)Cl)NO)C(=O)O)SC4=C(N=C(S4)NCCN)CSCCN

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=C(SC(=N3)N)Cl)NO)C(=O)O)SC4=C(N=C(S4)NCCN)CSCCN

InChI

InChI=1S/C20H26ClN9O5S5/c21-13-9(28-19(24)39-13)10(29-35)14(31)27-11-15(32)30-12(17(33)34)8(6-37-16(11)30)38-18-7(5-36-4-2-23)26-20(40-18)25-3-1-22/h10-11,16,29,35H,1-6,22-23H2,(H2,24,28)(H,25,26)(H,27,31)(H,33,34)