(2S)-1-(diphenylcarbamoyl)-4-[methyl(pentyl)carbamoyl]piperazine-2-carboxylic acid

Systemtic Name: (2S)-1-(diphenylcarbamoyl)-4-[methyl(pentyl)carbamoyl]piperazine-2-carboxylic acid Openeye Name: (2S)-1-(diphenylcarbamoyl)-4-[methyl(pentyl)carbamoyl]piperazine-2-carboxylic acid CAS Name: (2S)-4-[[methyl(pentyl)amino]-oxomethyl]-1-[oxo-(N-phenylanilino)methyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-(diphenylcarbamoyl)-4-[methyl(pentyl)carbamoyl]piperazine-2-carboxylic acid Traditional Name: (2S)-4-[amyl(methyl)carbamoyl]-1-(diphenylcarbamoyl)piperazine-2-carboxylic acid Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)C(=O)N1CCN(C(C1)C(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCN(C)C(=O)N1CCN([C@@H](C1)C(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-3-4-11-16-26(2)24(32)27-17-18-28(22(19-27)23(30)31)25(33)29(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,22H,3-4,11,16-19H2,1-2H3,(H,30,31)/t22-/m0/s1