methyl 2-[(3S,7R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-7-prop-2-enyl-azepan-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S,7R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-7-prop-2-enyl-azepan-1-yl]ethanoate Openeye Name: methyl 2-[(3S,7R)-7-allyl-3-(tert-butoxycarbonylamino)-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-7-prop-2-enyl-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,7R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-7-prop-2-enylazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-7-allyl-3-(tert-butoxycarbonylamino)-2-keto-azepan-1-yl]acetic acid methyl ester Formula: C17H28N2O5 MolecularWeight: 340.41462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCC(N(C1=O)CC(=O)OC)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](N(C1=O)CC(=O)OC)CC=C

InChI

InChI=1S/C17H28N2O5/c1-6-8-12-9-7-10-13(18-16(22)24-17(2,3)4)15(21)19(12)11-14(20)23-5/h6,12-13H,1,7-11H2,2-5H3,(H,18,22)/t12-,13-/m0/s1