(2S)-1-[(3-bromophenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid

Systemtic Name: (2S)-1-[(3-bromophenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: (2S)-1-[(3-bromophenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid CAS Name: (2S)-1-[(N-(3-bromophenyl)anilino)-oxomethyl]-4-[(dipentylamino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-[(3-bromophenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: (2S)-1-[(3-bromophenyl)-phenyl-carbamoyl]-4-(diamylcarbamoyl)piperazine-2-carboxylic acid Formula: C29H39BrN4O4 MolecularWeight: 587.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39BrN4O4/c1-3-5-10-17-31(18-11-6-4-2)28(37)32-19-20-33(26(22-32)27(35)36)29(38)34(24-14-8-7-9-15-24)25-16-12-13-23(30)21-25/h7-9,12-16,21,26H,3-6,10-11,17-20,22H2,1-2H3,(H,35,36)/t26-/m0/s1