(3S)-3,11-dimethyl-5,12-bis(oxidanylidene)-N-[(2R)-1-oxidanylpropan-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-oxidanylpropan-2-yl]-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Openeye Name: (3S)-N-[(1R)-2-hydroxy-1-methyl-ethyl]-3,11-dimethyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide CAS Name: (3S)-N-[(2R)-1-hydroxypropan-2-yl]-3,11-dimethyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide IUPAC Name: (3S)-N-[(2R)-1-hydroxypropan-2-yl]-3,11-dimethyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Traditional Name: (3S)-N-[(1R)-2-hydroxy-1-methyl-ethyl]-5,12-diketo-3,11-dimethyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-6-carboxamide Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5/c1-14-9-7-8-12-18(20(26)23-15(2)13-25)21(27)24-16(3)19(29-22(14)28)17-10-5-4-6-11-17/h4-8,10-11,14-16,18-19,25H,9,12-13H2,1-3H3,(H,23,26)(H,24,27)/t14?,15-,16+,18?,19?/m1/s1