methyl (E)-6-methyl-4-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]hept-2-enoate

Systemtic Name: methyl (E)-6-methyl-4-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]hept-2-enoate Openeye Name: methyl (E)-4-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-hept-2-enoate CAS Name: (E)-6-methyl-4-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-6-methyl-4-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]hept-2-enoate Traditional Name: (E)-4-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-6-methyl-hept-2-enoic acid methyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-14(2)12-16(10-11-18(23)26-4)19(24)22-17(20(25)21-3)13-15-8-6-5-7-9-15/h5-11,14,16-17H,12-13H2,1-4H3,(H,21,25)(H,22,24)/b11-10+/t16?,17-/m0/s1