[4-[[(3S)-2-oxidanylidene-1-(3-phenylpropyl)azepan-3-yl]carbamoyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[[(3S)-2-oxidanylidene-1-(3-phenylpropyl)azepan-3-yl]carbamoyl]phenyl] dihydrogen phosphate Openeye Name: [4-[[(3S)-2-oxo-1-(3-phenylpropyl)azepan-3-yl]carbamoyl]phenyl] dihydrogen phosphate CAS Name: [4-[oxo-[[(3S)-2-oxo-1-(3-phenylpropyl)-3-azepanyl]amino]methyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[[(3S)-2-oxo-1-(3-phenylpropyl)azepan-3-yl]carbamoyl]phenyl] dihydrogen phosphate Traditional Name: [4-[[(3S)-2-keto-1-(3-phenylpropyl)azepan-3-yl]carbamoyl]phenyl] dihydrogen phosphate Formula: C22H27N2O6P MolecularWeight: 446.433341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)OP(=O)(O)O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=O)C2=CC=C(C=C2)OP(=O)(O)O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N2O6P/c25-21(18-11-13-19(14-12-18)30-31(27,28)29)23-20-10-4-5-15-24(22(20)26)16-6-9-17-7-2-1-3-8-17/h1-3,7-8,11-14,20H,4-6,9-10,15-16H2,(H,23,25)(H2,27,28,29)/t20-/m0/s1