[4-[[(6R)-5-oxidanylidene-4-(3-phenylpropyl)-1,4-thiazepan-6-yl]carbamoyl]phenyl] phosphate

Systemtic Name: [4-[[(6R)-5-oxidanylidene-4-(3-phenylpropyl)-1,4-thiazepan-6-yl]carbamoyl]phenyl] phosphate Openeye Name: [4-[[(6R)-5-oxo-4-(3-phenylpropyl)-1,4-thiazepan-6-yl]carbamoyl]phenyl] phosphate CAS Name: [4-[oxo-[[(6R)-5-oxo-4-(3-phenylpropyl)-1,4-thiazepan-6-yl]amino]methyl]phenyl] phosphate IUPAC Name: [4-[[(6R)-5-oxo-4-(3-phenylpropyl)-1,4-thiazepan-6-yl]carbamoyl]phenyl] phosphate Traditional Name: [4-[[(6R)-5-keto-4-(3-phenylpropyl)-1,4-thiazepan-6-yl]carbamoyl]phenyl] phosphate Formula: C21H23N2O6PS-2 MolecularWeight: 462.455881

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C(=O)N1CCCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OP(=O)([O-])[O-]

Isomeric SMILES

C1CSC[C@@H](C(=O)N1CCCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OP(=O)([O-])[O-]

InChI

InChI=1S/C21H25N2O6PS/c24-20(17-8-10-18(11-9-17)29-30(26,27)28)22-19-15-31-14-13-23(21(19)25)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,22,24)(H2,26,27,28)/p-2/t19-/m0/s1