(2S,5R,6R)-6-[[4-[[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-[(4-nitrophenyl)carbonylamino]-4-oxidanylidene-butanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[4-[[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-[(4-nitrophenyl)carbonylamino]-4-oxidanylidene-butanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[4-[[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-[(4-nitrobenzoyl)amino]-4-oxo-butanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[4-[[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-[[(4-nitrophenyl)-oxomethyl]amino]-1,4-dioxobutyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[4-[[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-[(4-nitrobenzoyl)amino]-4-oxobutanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[[4-[[(2S,5R,6R)-2-carboxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-4-keto-3-[(4-nitrobenzoyl)amino]butanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C27H30N6O11S2 MolecularWeight: 678.6907

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC(C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC(C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C27H30N6O11S2/c1-26(2)16(24(39)40)31-20(37)14(22(31)45-26)29-13(34)9-12(28-18(35)10-5-7-11(8-6-10)33(43)44)19(36)30-15-21(38)32-17(25(41)42)27(3,4)46-23(15)32/h5-8,12,14-17,22-23H,9H2,1-4H3,(H,28,35)(H,29,34)(H,30,36)(H,39,40)(H,41,42)/t12?,14-,15-,16+,17+,22-,23-/m1/s1