(2S,3S)-3,4-dimethyl-6-[(3R)-2-methyl-7-phenyl-hept-4-yn-3-yl]-2-phenyl-1,4-oxazepane-5,7-dione

Systemtic Name: (2S,3S)-3,4-dimethyl-6-[(3R)-2-methyl-7-phenyl-hept-4-yn-3-yl]-2-phenyl-1,4-oxazepane-5,7-dione Openeye Name: (2S,3S)-6-[(1R)-1-isopropyl-5-phenyl-pent-2-ynyl]-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione CAS Name: (2S,3S)-3,4-dimethyl-6-[(3R)-2-methyl-7-phenylhept-4-yn-3-yl]-2-phenyl-1,4-oxazepane-5,7-dione IUPAC Name: (2S,3S)-3,4-dimethyl-6-[(3R)-2-methyl-7-phenylhept-4-yn-3-yl]-2-phenyl-1,4-oxazepane-5,7-dione Traditional Name: (2S,3S)-6-[(1R)-1-isopropyl-5-phenyl-pent-2-ynyl]-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-quinone Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C(C(=O)N1C)C(C#CCCC2=CC=CC=C2)C(C)C)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H](OC(=O)C(C(=O)N1C)[C@H](C#CCCC2=CC=CC=C2)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO3/c1-19(2)23(18-12-11-15-21-13-7-5-8-14-21)24-26(29)28(4)20(3)25(31-27(24)30)22-16-9-6-10-17-22/h5-10,13-14,16-17,19-20,23-25H,11,15H2,1-4H3/t20-,23+,24?,25+/m0/s1