methyl (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-1-(methylcarbamoyl)propyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-methyl-1-(methylcarbamoyl)propyl]amino]propionic acid methyl ester Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC)NC(CC1=CC=C(C=C1)O)C(=O)OC

Isomeric SMILES

CC(C)C(C(=O)NC)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C16H24N2O4/c1-10(2)14(15(20)17-3)18-13(16(21)22-4)9-11-5-7-12(19)8-6-11/h5-8,10,13-14,18-19H,9H2,1-4H3,(H,17,20)/t13-,14?/m0/s1