(E,2R,5S)-4,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propyl-hept-3-enoic acid

Systemtic Name: (E,2R,5S)-4,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propyl-hept-3-enoic acid Openeye Name: (E,2R,5S)-5-(tert-butoxycarbonylamino)-4,6-dimethyl-2-propyl-hept-3-enoic acid CAS Name: (E,2R,5S)-4,6-dimethyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-propyl-3-heptenoic acid IUPAC Name: (E,2R,5S)-4,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylhept-3-enoic acid Traditional Name: (E,2R,5S)-5-(tert-butoxycarbonylamino)-4,6-dimethyl-2-propyl-hept-3-enoic acid Formula: C17H31NO4 MolecularWeight: 313.43234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=C(C)C(C(C)C)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H31NO4/c1-8-9-13(15(19)20)10-12(4)14(11(2)3)18-16(21)22-17(5,6)7/h10-11,13-14H,8-9H2,1-7H3,(H,18,21)(H,19,20)/b12-10+/t13-,14+/m1/s1