ethyl (E,2S,6R)-2,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanyl-hept-4-enoate

Systemtic Name: ethyl (E,2S,6R)-2,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanyl-hept-4-enoate Openeye Name: ethyl (E,2S,6R)-6-(tert-butoxycarbonylamino)-7-hydroxy-2,4-dimethyl-hept-4-enoate CAS Name: (E,2S,6R)-7-hydroxy-2,4-dimethyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-heptenoic acid ethyl ester IUPAC Name: ethyl (E,2S,6R)-7-hydroxy-2,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoate Traditional Name: (E,2S,6R)-6-(tert-butoxycarbonylamino)-7-hydroxy-2,4-dimethyl-hept-4-enoic acid ethyl ester Formula: C16H29NO5 MolecularWeight: 315.40516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CC(=CC(CO)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)[C@@H](C)C/C(=C/[C@H](CO)NC(=O)OC(C)(C)C)/C

InChI

InChI=1S/C16H29NO5/c1-7-21-14(19)12(3)8-11(2)9-13(10-18)17-15(20)22-16(4,5)6/h9,12-13,18H,7-8,10H2,1-6H3,(H,17,20)/b11-9+/t12-,13+/m0/s1