methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(phenethylamino)butanoate

Systemtic Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(phenethylamino)butanoate Openeye Name: methyl (3S)-3-(tert-butoxycarbonylamino)-4-oxo-4-(phenethylamino)butanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-(phenethylamino)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(phenethylamino)butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-keto-4-(phenethylamino)butyric acid methyl ester Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OC)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-14(12-15(21)24-4)16(22)19-11-10-13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)(H,20,23)/t14-/m0/s1