(3S)-3,11-dimethyl-5,12-bis(oxidanylidene)-N-[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide

Systemtic Name: (3S)-3,11-dimethyl-5,12-bis(oxidanylidene)-N-[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Openeye Name: (3S)-N-[(1R)-1-benzyl-2-hydroxy-ethyl]-3,11-dimethyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide CAS Name: (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,11-dimethyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide IUPAC Name: (3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,11-dimethyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Traditional Name: (3S)-N-[(1R)-1-benzyl-2-hydroxy-ethyl]-5,12-diketo-3,11-dimethyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Formula: C28H34N2O5 MolecularWeight: 478.57996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CCC(C(=O)NC(C(OC1=O)C2=CC=CC=C2)C)C(=O)NC(CC3=CC=CC=C3)CO

Isomeric SMILES

C[C@H]1C(OC(=O)C(CC=CCC(C(=O)N1)C(=O)N[C@H](CC2=CC=CC=C2)CO)C)C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O5/c1-19-11-9-10-16-24(27(33)30-23(18-31)17-21-12-5-3-6-13-21)26(32)29-20(2)25(35-28(19)34)22-14-7-4-8-15-22/h3-10,12-15,19-20,23-25,31H,11,16-18H2,1-2H3,(H,29,32)(H,30,33)/t19?,20-,23+,24?,25?/m0/s1