(2S,6R,7S)-6-chloranyl-9-[3-(2-oxidanylidene-4,5-diphenyl-1,3-oxazol-3-yl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one

Systemtic Name: (2S,6R,7S)-6-chloranyl-9-[3-(2-oxidanylidene-4,5-diphenyl-1,3-oxazol-3-yl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one Openeye Name: (2S,6R,7S)-2-[(4-benzyloxyphenyl)methyl]-6-chloro-9-[3-(2-oxo-4,5-diphenyl-oxazol-3-yl)propyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one CAS Name: (2S,6R,7S)-6-chloro-9-[3-(2-oxo-4,5-diphenyl-3-oxazolyl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one IUPAC Name: (2S,6R,7S)-6-chloro-9-[3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one Traditional Name: (2S,6R,7S)-2-(4-benzoxybenzyl)-6-chloro-9-[3-(2-keto-4,5-diphenyl-4-oxazolin-3-yl)propyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one Formula: C40H38ClN3O5 MolecularWeight: 676.19982

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(COCC(N1C(=O)C(=N2)CCCN3C(=C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=C(C=C6)OCC7=CC=CC=C7)Cl

Isomeric SMILES

C1[C@H]2[C@H](COC[C@@H](N1C(=O)C(=N2)CCCN3C(=C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC=C(C=C6)OCC7=CC=CC=C7)Cl

InChI

InChI=1S/C40H38ClN3O5/c41-34-27-47-26-32(23-28-18-20-33(21-19-28)48-25-29-11-4-1-5-12-29)44-24-36(34)42-35(39(44)45)17-10-22-43-37(30-13-6-2-7-14-30)38(49-40(43)46)31-15-8-3-9-16-31/h1-9,11-16,18-21,32,34,36H,10,17,22-27H2/t32-,34-,36-/m0/s1