methyl (2S)-2-[[3-(dimethylaminomethylideneamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-(dimethylaminomethylideneamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-(dimethylaminomethyleneamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(dimethylaminomethylideneamino)-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(dimethylaminomethylideneamino)-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(dimethylaminomethyleneamino)-3-methyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-18(2,19-13-21(3)4)12-16(22)20-15(17(23)24-5)11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3,(H,20,22)/t15-/m0/s1