4-(2-azanyl-3-phenyl-propanoyl)-6,6-dimethyl-3-(2-methylpropyl)piperazin-2-one hydrate

Systemtic Name: 4-(2-azanyl-3-phenyl-propanoyl)-6,6-dimethyl-3-(2-methylpropyl)piperazin-2-one hydrate Openeye Name: 4-(2-amino-3-phenyl-propanoyl)-3-isobutyl-6,6-dimethyl-piperazin-2-one hydrate CAS Name: 4-(2-amino-1-oxo-3-phenylpropyl)-6,6-dimethyl-3-(2-methylpropyl)-2-piperazinone hydrate IUPAC Name: 4-(2-amino-3-phenylpropanoyl)-6,6-dimethyl-3-(2-methylpropyl)piperazin-2-one hydrate Traditional Name: 3-isobutyl-6,6-dimethyl-4-phenylalanyl-piperazin-2-one hydrate Formula: C19H31N3O3 MolecularWeight: 349.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(CN1C(=O)C(CC2=CC=CC=C2)N)(C)C.O

Isomeric SMILES

CC(C)CC1C(=O)NC(CN1C(=O)C(CC2=CC=CC=C2)N)(C)C.O

InChI

InChI=1S/C19H29N3O2.H2O/c1-13(2)10-16-17(23)21-19(3,4)12-22(16)18(24)15(20)11-14-8-6-5-7-9-14;/h5-9,13,15-16H,10-12,20H2,1-4H3,(H,21,23);1H2