methyl (E,2R,5S)-2-butyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate

Systemtic Name: methyl (E,2R,5S)-2-butyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate Openeye Name: methyl (E,2R,5S)-5-(tert-butoxycarbonylamino)-2-butyl-4-methyl-hex-3-enoate CAS Name: (E,2R,5S)-2-butyl-4-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-hexenoic acid methyl ester IUPAC Name: methyl (E,2R,5S)-2-butyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-3-enoate Traditional Name: (E,2R,5S)-5-(tert-butoxycarbonylamino)-2-butyl-4-methyl-hex-3-enoic acid methyl ester Formula: C17H31NO4 MolecularWeight: 313.43234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=C(C)C(C)NC(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CCCC[C@H](/C=C(\C)/[C@H](C)NC(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C17H31NO4/c1-8-9-10-14(15(19)21-7)11-12(2)13(3)18-16(20)22-17(4,5)6/h11,13-14H,8-10H2,1-7H3,(H,18,20)/b12-11+/t13-,14+/m0/s1