(2R,5S,6R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-4-(phenylmethyl)-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-3-en-7-one

Systemtic Name: (2R,5S,6R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-4-(phenylmethyl)-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-3-en-7-one Openeye Name: (2R,5S,6R)-4-benzyl-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-3-en-7-one CAS Name: (2R,5S,6R)-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-4-(phenylmethyl)-3-(propylthio)-1-azabicyclo[3.2.0]hept-3-en-7-one IUPAC Name: (2R,5S,6R)-4-benzyl-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3-propylsulfanyl-1-azabicyclo[3.2.0]hept-3-en-7-one Traditional Name: (2R,5S,6R)-4-benzyl-2-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3-(propylthio)-1-azabicyclo[3.2.0]hept-3-en-7-one Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C2C(C(=O)N2C1C3C(OC(O3)(C)C)C4COC(O4)(C)C)OC)CC5=CC=CC=C5

Isomeric SMILES

CCCSC1=C([C@H]2[C@H](C(=O)N2[C@@H]1[C@@H]3[C@H](OC(O3)(C)C)[C@H]4COC(O4)(C)C)OC)CC5=CC=CC=C5

InChI

InChI=1S/C27H37NO6S/c1-7-13-35-24-17(14-16-11-9-8-10-12-16)19-23(30-6)25(29)28(19)20(24)22-21(33-27(4,5)34-22)18-15-31-26(2,3)32-18/h8-12,18-23H,7,13-15H2,1-6H3/t18-,19+,20-,21-,22-,23-/m1/s1