methyl (3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pentanoate

Systemtic Name: methyl (3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pentanoate Openeye Name: methyl (3S)-3-(tert-butoxycarbonylamino)-2-methylene-5-phenyl-pentanoate CAS Name: (3S)-2-methylene-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (3S)-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate Traditional Name: 2-[(1S)-1-(tert-butoxycarbonylamino)-3-phenyl-propyl]acrylic acid methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(=C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=C)C(=O)OC

InChI

InChI=1S/C18H25NO4/c1-13(16(20)22-5)15(19-17(21)23-18(2,3)4)12-11-14-9-7-6-8-10-14/h6-10,15H,1,11-12H2,2-5H3,(H,19,21)/t15-/m0/s1