3-[3-(2-azanylethanoylamino)-2-oxidanylidene-imidazolidin-1-yl]-6-[[2-(4-hydroxyphenyl)-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid

Systemtic Name: 3-[3-(2-azanylethanoylamino)-2-oxidanylidene-imidazolidin-1-yl]-6-[[2-(4-hydroxyphenyl)-3-oxidanyl-3-oxidanylidene-propanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid Openeye Name: 3-[3-[(2-aminoacetyl)amino]-2-oxo-imidazolidin-1-yl]-6-[[3-hydroxy-2-(4-hydroxyphenyl)-3-oxo-propanoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid CAS Name: 3-[3-[(2-amino-1-oxoethyl)amino]-2-oxo-1-imidazolidinyl]-6-[[3-hydroxy-2-(4-hydroxyphenyl)-1,3-dioxopropyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid IUPAC Name: 3-[3-[(2-aminoacetyl)amino]-2-oxoimidazolidin-1-yl]-6-[[3-hydroxy-2-(4-hydroxyphenyl)-3-oxopropanoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid Traditional Name: 3-[3-(glycylamino)-2-keto-imidazolidin-1-yl]-6-[[3-hydroxy-2-(4-hydroxyphenyl)-3-keto-propanoyl]amino]-7-keto-4-thia-1-azabicyclo[3.2.0]heptane-3-carboxylic acid Formula: C20H22N6O9S MolecularWeight: 522.48848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1C2(CN3C(S2)C(C3=O)NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)C(=O)O)NC(=O)CN

Isomeric SMILES

C1CN(C(=O)N1C2(CN3C(S2)C(C3=O)NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)C(=O)O)NC(=O)CN

InChI

InChI=1S/C20H22N6O9S/c21-7-11(28)23-26-6-5-25(19(26)35)20(18(33)34)8-24-15(30)13(16(24)36-20)22-14(29)12(17(31)32)9-1-3-10(27)4-2-9/h1-4,12-13,16,27H,5-8,21H2,(H,22,29)(H,23,28)(H,31,32)(H,33,34)