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

Systemtic Name: (2S)-4-(dipentylcarbamoyl)-1-[(4-ethoxycarbonylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Openeye Name: (2S)-4-(dipentylcarbamoyl)-1-[(4-ethoxycarbonylphenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid CAS Name: (2S)-4-[(dipentylamino)-oxomethyl]-1-[(N-(4-ethoxycarbonylphenyl)anilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-4-(dipentylcarbamoyl)-1-[(4-ethoxycarbonylphenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid Traditional Name: (2S)-1-[(4-carbethoxyphenyl)-phenyl-carbamoyl]-4-(diamylcarbamoyl)piperazine-2-carboxylic acid Formula: C32H44N4O6 MolecularWeight: 580.71496

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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=C(C=C3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C32H44N4O6/c1-4-7-12-20-33(21-13-8-5-2)31(40)34-22-23-35(28(24-34)29(37)38)32(41)36(26-14-10-9-11-15-26)27-18-16-25(17-19-27)30(39)42-6-3/h9-11,14-19,28H,4-8,12-13,20-24H2,1-3H3,(H,37,38)/t28-/m0/s1