[(2R,3R,4R,5R)-2,3,4,5-tetraacetyloxy-5-[(1S,4R,5S,6R)-4-[methyl-(phenylmethyl)amino]-5-nitro-2-oxidanylidene-1,3-diphenyl-7-thia-3-azabicyclo[2.2.1]heptan-6-yl]pentyl] ethanoate

Systemtic Name: [(2R,3R,4R,5R)-2,3,4,5-tetraacetyloxy-5-[(1S,4R,5S,6R)-4-[methyl-(phenylmethyl)amino]-5-nitro-2-oxidanylidene-1,3-diphenyl-7-thia-3-azabicyclo[2.2.1]heptan-6-yl]pentyl] ethanoate Openeye Name: [(2R,3R,4R,5R)-2,3,4,5-tetraacetoxy-5-[(1S,4R,5S,6R)-4-[benzyl(methyl)amino]-5-nitro-2-oxo-1,3-diphenyl-7-thia-3-azabicyclo[2.2.1]heptan-6-yl]pentyl] acetate CAS Name: acetic acid [(2R,3R,4R,5R)-2,3,4,5-tetraacetyloxy-5-[(1S,4R,5S,6R)-4-[methyl-(phenylmethyl)amino]-5-nitro-2-oxo-1,3-diphenyl-7-thia-3-azabicyclo[2.2.1]heptan-6-yl]pentyl] ester IUPAC Name: [(2R,3R,4R,5R)-2,3,4,5-tetraacetyloxy-5-[(1S,4R,5S,6R)-4-[benzyl(methyl)amino]-5-nitro-2-oxo-1,3-diphenyl-7-thia-3-azabicyclo[2.2.1]heptan-6-yl]pentyl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-2,3,4,5-tetraacetoxy-5-[(1S,4R,5S,6R)-4-[benzyl(methyl)amino]-2-keto-5-nitro-1,3-diphenyl-7-thia-3-azabicyclo[2.2.1]heptan-6-yl]pentyl] ester Formula: C40H43N3O13S MolecularWeight: 805.84672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C(C1C(C2(N(C(=O)C1(S2)C3=CC=CC=C3)C4=CC=CC=C4)N(C)CC5=CC=CC=C5)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@@H]([C@@H]([C@H]1[C@@H]([C@]2(N(C(=O)[C@@]1(S2)C3=CC=CC=C3)C4=CC=CC=C4)N(C)CC5=CC=CC=C5)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H43N3O13S/c1-24(44)52-23-32(53-25(2)45)34(54-26(3)46)36(56-28(5)48)35(55-27(4)47)33-37(43(50)51)40(41(6)22-29-16-10-7-11-17-29)42(31-20-14-9-15-21-31)38(49)39(33,57-40)30-18-12-8-13-19-30/h7-21,32-37H,22-23H2,1-6H3/t32-,33+,34-,35-,36+,37+,39-,40-/m1/s1