(3R,5S,6R)-3-[(3,4-diacetyloxyphenyl)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-diacetyloxyphenyl)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-diacetoxybenzoyl)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-diacetyloxyphenyl)-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-diacetyloxybenzoyl)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)-3-[(3,4-diacetoxybenzoyl)oxymethyl]-6-[[(2R)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C34H35N5O13S MolecularWeight: 753.7324

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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)OC(=O)C)OC(=O)C)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)OC(=O)C)OC(=O)C)C(=O)O

InChI

InChI=1S/C34H35N5O13S/c1-5-37-13-14-38(29(45)28(37)44)33(49)36-23(19-9-7-6-8-10-19)26(42)35-24-27(43)39-25(31(46)47)34(4,53-30(24)39)16-50-32(48)20-11-12-21(51-17(2)40)22(15-20)52-18(3)41/h6-12,15,23-25,30H,5,13-14,16H2,1-4H3,(H,35,42)(H,36,49)(H,46,47)/t23-,24-,25?,30+,34+/m1/s1