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

Systemtic Name: 6-methyl-3-oxidanylidene-2-[1-perchloryloxy-2-(trimethylazaniumyl)ethyl]-4-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptanoate Openeye Name: 2-benzyl-4-(benzyloxycarbonylamino)-6-methyl-3-oxo-2-[1-perchloryloxy-2-(trimethylammonio)ethyl]heptanoate CAS Name: 6-methyl-3-oxo-2-[1-perchloryloxy-2-(trimethylammonio)ethyl]-4-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptanoate IUPAC Name: 2-benzyl-6-methyl-3-oxo-2-[1-perchloryloxy-2-(trimethylazaniumyl)ethyl]-4-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 2-benzyl-4-(benzyloxycarbonylamino)-3-keto-6-methyl-2-[1-perchloryloxy-2-(trimethylammonio)ethyl]enanthate Formula: C28H37ClN2O9 MolecularWeight: 581.05438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CC1=CC=CC=C1)(C(C[N+](C)(C)C)OCl(=O)(=O)=O)C(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)C(CC1=CC=CC=C1)(C(C[N+](C)(C)C)OCl(=O)(=O)=O)C(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H37ClN2O9/c1-20(2)16-23(30-27(35)39-19-22-14-10-7-11-15-22)25(32)28(26(33)34,17-21-12-8-6-9-13-21)24(18-31(3,4)5)40-29(36,37)38/h6-15,20,23-24H,16-19H2,1-5H3,(H-,30,33,34,35)