(2S)-4-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]-N-butyl-2-methyl-piperazine-1-carboxamide

Systemtic Name: (2S)-4-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]-N-butyl-2-methyl-piperazine-1-carboxamide Openeye Name: (2S)-4-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]-N-butyl-2-methyl-piperazine-1-carboxamide CAS Name: (2S)-4-[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]-N-butyl-2-methyl-1-piperazinecarboxamide IUPAC Name: (2S)-4-[(2S,3S)-2-benzamido-3-methylpentanoyl]-N-butyl-2-methylpiperazine-1-carboxamide Traditional Name: (2S)-4-[(2S,3S)-2-benzamido-3-methyl-pentanoyl]-N-butyl-2-methyl-piperazine-1-carboxamide Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O3/c1-5-7-13-24-23(30)27-15-14-26(16-18(27)4)22(29)20(17(3)6-2)25-21(28)19-11-9-8-10-12-19/h8-12,17-18,20H,5-7,13-16H2,1-4H3,(H,24,30)(H,25,28)/t17-,18-,20-/m0/s1