7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(Z)-[1-[2-(2-hydroxyethylamino)ethyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoyl]amino]-3-[(Z)-[1-[2-(2-hydroxyethylamino)ethyl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetyl]amino]-3-[(Z)-[1-[2-(2-hydroxyethylamino)ethyl]-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-[(Z)-[1-[2-(2-hydroxyethylamino)ethyl]-2-oxo-3-pyrrolidinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-[(Z)-[1-[2-(2-hydroxyethylamino)ethyl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-hydroximino-acetyl]amino]-3-[(Z)-[1-[2-(2-hydroxyethylamino)ethyl]-2-keto-pyrrolidin-3-ylidene]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H25N7O7S2 MolecularWeight: 551.5959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1=CC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)N)SC2)C(=O)O)CCNCCO

Isomeric SMILES

C\1CN(C(=O)/C1=C\C2=C(N3C(C(C3=O)NC(=O)/C(=N\O)/C4=CSC(=N4)N)SC2)C(=O)O)CCNCCO

InChI

InChI=1S/C21H25N7O7S2/c22-21-24-12(9-37-21)13(26-35)16(30)25-14-18(32)28-15(20(33)34)11(8-36-19(14)28)7-10-1-4-27(17(10)31)5-2-23-3-6-29/h7,9,14,19,23,29,35H,1-6,8H2,(H2,22,24)(H,25,30)(H,33,34)/b10-7-,26-13-