2-chloranyl-6-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylazaniumyl)ethyl]heptanoate

Systemtic Name: 2-chloranyl-6-methyl-3-oxidanylidene-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylazaniumyl)ethyl]heptanoate Openeye Name: 4-(benzyloxycarbonylamino)-2-[1-benzyloxy-2-(trimethylammonio)ethyl]-2-chloro-6-methyl-3-oxo-heptanoate CAS Name: 2-chloro-6-methyl-3-oxo-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylammonio)ethyl]heptanoate IUPAC Name: 2-chloro-6-methyl-3-oxo-4-(phenylmethoxycarbonylamino)-2-[1-phenylmethoxy-2-(trimethylazaniumyl)ethyl]heptanoate Traditional Name: 2-[1-benzoxy-2-(trimethylammonio)ethyl]-4-(benzyloxycarbonylamino)-2-chloro-3-keto-6-methyl-enanthate Formula: C28H37ClN2O6 MolecularWeight: 533.05618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37ClN2O6/c1-20(2)16-23(30-27(35)37-19-22-14-10-7-11-15-22)25(32)28(29,26(33)34)24(17-31(3,4)5)36-18-21-12-8-6-9-13-21/h6-15,20,23-24H,16-19H2,1-5H3,(H-,30,33,34,35)