[3-carboxy-7-methylsulfanyl-4-oxidanylidene-2-perchloryloxy-5-(phenylmethoxycarbonylamino)-3-(phenylmethyl)heptyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-7-methylsulfanyl-4-oxidanylidene-2-perchloryloxy-5-(phenylmethoxycarbonylamino)-3-(phenylmethyl)heptyl]-trimethyl-azanium Openeye Name: [3-benzyl-5-(benzyloxycarbonylamino)-3-carboxy-7-methylsulfanyl-4-oxo-2-perchloryloxy-heptyl]-trimethyl-ammonium CAS Name: [3-carboxy-7-(methylthio)-4-oxo-2-perchloryloxy-5-(phenylmethoxycarbonylamino)-3-(phenylmethyl)heptyl]-trimethylammonium IUPAC Name: [3-benzyl-3-carboxy-7-methylsulfanyl-4-oxo-2-perchloryloxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethylazanium Traditional Name: [3-benzyl-5-(benzyloxycarbonylamino)-3-carboxy-4-keto-7-(methylthio)-2-perchloryloxy-heptyl]-trimethyl-ammonium Formula: C27H36ClN2O9S+ MolecularWeight: 600.10074

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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)/p+1