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

Systemtic Name: 6-methylsulfanyl-3-oxidanylidene-2-[1-perchloryloxy-2-(trimethylazaniumyl)ethyl]-4-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hexanoate Openeye Name: 2-benzyl-4-(benzyloxycarbonylamino)-6-methylsulfanyl-3-oxo-2-[1-perchloryloxy-2-(trimethylammonio)ethyl]hexanoate CAS Name: 6-(methylthio)-3-oxo-2-[1-perchloryloxy-2-(trimethylammonio)ethyl]-4-(phenylmethoxycarbonylamino)-2-(phenylmethyl)hexanoate IUPAC Name: 2-benzyl-6-methylsulfanyl-3-oxo-2-[1-perchloryloxy-2-(trimethylazaniumyl)ethyl]-4-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-benzyl-4-(benzyloxycarbonylamino)-3-keto-6-(methylthio)-2-[1-perchloryloxy-2-(trimethylammonio)ethyl]hexanoate Formula: C27H35ClN2O9S MolecularWeight: 599.0928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35ClN2O9S/c1-30(2,3)18-23(39-28(35,36)37)27(25(32)33,17-20-11-7-5-8-12-20)24(31)22(15-16-40-4)29-26(34)38-19-21-13-9-6-10-14-21/h5-14,22-23H,15-19H2,1-4H3,(H-,29,32,33,34)