(3R,5S,6R)-3-[[3,4-bis(oxidanyl)phenyl]carbonyloxymethyl]-6-[[(2R)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (3R,5S,6R)-3-[[3,4-bis(oxidanyl)phenyl]carbonyloxymethyl]-6-[[(2R)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (3R,5S,6R)-3-[(3,4-dihydroxybenzoyl)oxymethyl]-6-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (3R,5S,6R)-3-[[(3,4-dihydroxyphenyl)-oxomethoxy]methyl]-6-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (3R,5S,6R)-3-[(3,4-dihydroxybenzoyl)oxymethyl]-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (3R,5S,6R)-6-[[(2R)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-keto-3-methyl-3-(protocatechuoyloxymethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C30H31N5O11S MolecularWeight: 669.65904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)COC(=O)C5=CC(=C(C=C5)O)O)C(=O)O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@H]4N(C3=O)C([C@](S4)(C)COC(=O)C5=CC(=C(C=C5)O)O)C(=O)O

InChI

InChI=1S/C30H31N5O11S/c1-3-33-11-12-34(25(41)24(33)40)29(45)32-19(15-7-5-4-6-8-15)22(38)31-20-23(39)35-21(27(42)43)30(2,47-26(20)35)14-46-28(44)16-9-10-17(36)18(37)13-16/h4-10,13,19-21,26,36-37H,3,11-12,14H2,1-2H3,(H,31,38)(H,32,45)(H,42,43)/t19-,20-,21?,26+,30+/m1/s1