(2S)-1-(dipentylcarbamoyl)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid

Systemtic Name: (2S)-1-(dipentylcarbamoyl)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: (2S)-1-(dipentylcarbamoyl)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid CAS Name: (2S)-1-[(dipentylamino)-oxomethyl]-4-[oxo-(N-phenylanilino)methyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-(dipentylcarbamoyl)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: (2S)-1-(diamylcarbamoyl)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)N1CCN(CC1C(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCN(CCCCC)C(=O)N1CCN(C[C@H]1C(=O)O)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H40N4O4/c1-3-5-13-19-30(20-14-6-4-2)28(36)32-22-21-31(23-26(32)27(34)35)29(37)33(24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,26H,3-6,13-14,19-23H2,1-2H3,(H,34,35)/t26-/m0/s1