11-(1,3-benzoxazol-2-ylmethyl)-5,12-bis(oxidanylidene)-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide

Systemtic Name: 11-(1,3-benzoxazol-2-ylmethyl)-5,12-bis(oxidanylidene)-N-[(1R)-2-oxidanyl-1-phenyl-ethyl]-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Openeye Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide CAS Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide IUPAC Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Traditional Name: 11-(1,3-benzoxazol-2-ylmethyl)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]-5,12-diketo-3-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Formula: C33H33N3O6 MolecularWeight: 567.63162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C(=O)NC(COC(=O)C1CC2=NC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)NC(CO)C5=CC=CC=C5

Isomeric SMILES

C1C=CCC(C(=O)NC(COC(=O)C1CC2=NC3=CC=CC=C3O2)C4=CC=CC=C4)C(=O)N[C@@H](CO)C5=CC=CC=C5

InChI

InChI=1S/C33H33N3O6/c37-20-27(22-11-3-1-4-12-22)35-31(38)25-16-8-7-15-24(19-30-34-26-17-9-10-18-29(26)42-30)33(40)41-21-28(36-32(25)39)23-13-5-2-6-14-23/h1-14,17-18,24-25,27-28,37H,15-16,19-21H2,(H,35,38)(H,36,39)/t24?,25?,27-,28?/m0/s1