1-tert-butyl-3-[(2S)-1-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea

Systemtic Name: 1-tert-butyl-3-[(2S)-1-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]urea Openeye Name: 1-[(1S)-1-benzyl-2-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]-2-oxo-ethyl]-3-tert-butyl-urea CAS Name: 1-tert-butyl-3-[(2S)-1-[(3S)-3-methyl-4-(1-oxopentyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]urea IUPAC Name: 1-tert-butyl-3-[(2S)-1-[(3S)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea Traditional Name: 1-[(1S)-1-benzyl-2-keto-2-[(3S)-3-methyl-4-valeryl-piperazino]ethyl]-3-tert-butyl-urea Formula: C24H38N4O3 MolecularWeight: 430.58352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)NC(C)(C)C

Isomeric SMILES

CCCCC(=O)N1CCN(C[C@@H]1C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)NC(C)(C)C

InChI

InChI=1S/C24H38N4O3/c1-6-7-13-21(29)28-15-14-27(17-18(28)2)22(30)20(16-19-11-9-8-10-12-19)25-23(31)26-24(3,4)5/h8-12,18,20H,6-7,13-17H2,1-5H3,(H2,25,26,31)/t18-,20-/m0/s1