2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[(2R)-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]-N-prop-2-enyl-propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-[(2R)-1-oxidanylidene-1-(3-phenylpropylamino)propan-2-yl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(1R)-1-methyl-2-oxo-2-(3-phenylpropylamino)ethyl]propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-N-prop-2-enylpropanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(1R)-2-keto-1-methyl-2-(3-phenylpropylamino)ethyl]propionamide Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N(CC=C)C(C)C(=O)NCCCC2=CC=CC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)N(CC=C)[C@H](C)C(=O)NCCCC2=CC=CC=C2)N)C)O

InChI

InChI=1S/C26H35N3O3/c1-5-14-29(20(4)25(31)28-13-9-12-21-10-7-6-8-11-21)26(32)24(27)17-23-18(2)15-22(30)16-19(23)3/h5-8,10-11,15-16,20,24,30H,1,9,12-14,17,27H2,2-4H3,(H,28,31)/t20-,24?/m1/s1