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

Systemtic Name: (2S)-4-(dipentylcarbamoyl)-1-[(4-iodophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Openeye Name: (2S)-4-(dipentylcarbamoyl)-1-[(4-iodophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid CAS Name: (2S)-4-[(dipentylamino)-oxomethyl]-1-[(N-(4-iodophenyl)anilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-4-(dipentylcarbamoyl)-1-[(4-iodophenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid Traditional Name: (2S)-4-(diamylcarbamoyl)-1-[(4-iodophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Formula: C29H39IN4O4 MolecularWeight: 634.54883

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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)I

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)I

InChI

InChI=1S/C29H39IN4O4/c1-3-5-10-18-31(19-11-6-4-2)28(37)32-20-21-33(26(22-32)27(35)36)29(38)34(24-12-8-7-9-13-24)25-16-14-23(30)15-17-25/h7-9,12-17,26H,3-6,10-11,18-22H2,1-2H3,(H,35,36)/t26-/m0/s1