[3-carboxy-6-methyl-4-oxidanylidene-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-6-methyl-4-oxidanylidene-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethyl-azanium Openeye Name: [2-benzyloxy-5-(benzyloxycarbonylamino)-3-carboxy-6-methyl-4-oxo-heptyl]-trimethyl-ammonium CAS Name: [3-carboxy-6-methyl-4-oxo-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethylammonium IUPAC Name: [3-carboxy-6-methyl-4-oxo-2-phenylmethoxy-5-(phenylmethoxycarbonylamino)heptyl]-trimethylazanium Traditional Name: [2-benzoxy-5-(benzyloxycarbonylamino)-3-carboxy-4-keto-6-methyl-heptyl]-trimethyl-ammonium Formula: C27H37N2O6+ MolecularWeight: 485.59248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O6/c1-19(2)24(28-27(33)35-18-21-14-10-7-11-15-21)25(30)23(26(31)32)22(16-29(3,4)5)34-17-20-12-8-6-9-13-20/h6-15,19,22-24H,16-18H2,1-5H3,(H-,28,31,32,33)/p+1