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

Systemtic Name: [3-carboxy-7-methylsulfanyl-4-oxidanylidene-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethyl-azanium Openeye Name: [2-benzyloxy-5-(benzyloxycarbonylamino)-3-carboxy-7-methylsulfanyl-4-oxo-heptyl]-trimethyl-ammonium CAS Name: [3-carboxy-7-(methylthio)-4-oxo-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethylammonium IUPAC Name: [3-carboxy-7-methylsulfanyl-4-oxo-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethylazanium Traditional Name: [2-benzoxy-5-(benzyloxycarbonylamino)-3-carboxy-4-keto-7-(methylthio)heptyl]-trimethyl-ammonium Formula: C27H37N2O6S+ MolecularWeight: 517.65748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O6S/c1-29(2,3)17-23(34-18-20-11-7-5-8-12-20)24(26(31)32)25(30)22(15-16-36-4)28-27(33)35-19-21-13-9-6-10-14-21/h5-14,22-24H,15-19H2,1-4H3,(H-,28,31,32,33)/p+1