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

Systemtic Name: (2S)-4-(dipentylcarbamoyl)-1-[(3-methylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Openeye Name: (2S)-4-(dipentylcarbamoyl)-1-[m-tolyl(phenyl)carbamoyl]piperazine-2-carboxylic acid CAS Name: (2S)-4-[(dipentylamino)-oxomethyl]-1-[(N-(3-methylphenyl)anilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-4-(dipentylcarbamoyl)-1-[(3-methylphenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid Traditional Name: (2S)-4-(diamylcarbamoyl)-1-[m-tolyl(phenyl)carbamoyl]piperazine-2-carboxylic acid Formula: C30H42N4O4 MolecularWeight: 522.67888

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O4/c1-4-6-11-18-31(19-12-7-5-2)29(37)32-20-21-33(27(23-32)28(35)36)30(38)34(25-15-9-8-10-16-25)26-17-13-14-24(3)22-26/h8-10,13-17,22,27H,4-7,11-12,18-21,23H2,1-3H3,(H,35,36)/t27-/m0/s1