5-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylazaniumyl)ethyl]hexanoate

Systemtic Name: 5-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylazaniumyl)ethyl]hexanoate Openeye Name: 4-(benzyloxycarbonylamino)-2-[1-benzyloxy-2-(trimethylammonio)ethyl]-5-methyl-3-oxo-hexanoate CAS Name: 5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylammonio)ethyl]hexanoate IUPAC Name: 5-methyl-3-oxo-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylazaniumyl)ethyl]hexanoate Traditional Name: 2-[1-benzoxy-2-(trimethylammonio)ethyl]-4-(benzyloxycarbonylamino)-3-keto-5-methyl-hexanoate Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(C[N+](C)(C)C)OCC1=CC=CC=C1)C(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)C(C(C[N+](C)(C)C)OCC1=CC=CC=C1)C(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H36N2O6/c1-19(2)24(28-27(33)35-18-21-14-10-7-11-15-21)25(30)23(26(31)32)22(16-29(3,4)5)34-17-20-12-8-6-9-13-20/h6-15,19,22-24H,16-18H2,1-5H3,(H-,28,31,32,33)