(phenylmethyl) (2S)-4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate

Systemtic Name: (phenylmethyl) (2S)-4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-4-(chloromethyl)hex-5-enoate CAS Name: (2S)-4-(chloromethyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(chloromethyl)hex-5-enoic acid benzyl ester Formula: C19H26ClNO4 MolecularWeight: 367.86704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(CCl)C=C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(CCl)C=C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H26ClNO4/c1-5-14(12-20)11-16(21-18(23)25-19(2,3)4)17(22)24-13-15-9-7-6-8-10-15/h5-10,14,16H,1,11-13H2,2-4H3,(H,21,23)/t14?,16-/m0/s1