(4S,5S,6S)-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-2-en-7-one

Systemtic Name: (4S,5S,6S)-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-2-en-7-one Openeye Name: (4S,5S,6S)-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-2-en-7-one CAS Name: (4S,5S,6S)-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-2-en-7-one IUPAC Name: (4S,5S,6S)-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-2-en-7-one Traditional Name: (4S,5S,6S)-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-2-en-7-one Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(N2C(C1CC3=CC=CC=C3)C(C2=O)OC)C4C(OC(O4)(C)C)C5COC(O5)(C)C

Isomeric SMILES

CCCSC1=C(N2[C@@H]([C@@H]1CC3=CC=CC=C3)[C@@H](C2=O)OC)[C@@H]4[C@H](OC(O4)(C)C)[C@H]5COC(O5)(C)C

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/h8-12,17-19,21-23H,7,13-15H2,1-6H3/t17-,18+,19-,21+,22+,23-/m0/s1