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

Systemtic Name: (2S)-1-[(4-carboxyphenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Openeye Name: (2S)-1-[(4-carboxyphenyl)-phenyl-carbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid CAS Name: (2S)-1-[(N-(4-carboxyphenyl)anilino)-oxomethyl]-4-[(dipentylamino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-[(4-carboxyphenyl)-phenylcarbamoyl]-4-(dipentylcarbamoyl)piperazine-2-carboxylic acid Traditional Name: (2S)-1-[(4-carboxyphenyl)-phenyl-carbamoyl]-4-(diamylcarbamoyl)piperazine-2-carboxylic acid Formula: C30H40N4O6 MolecularWeight: 552.6618

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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)O

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)O

InChI

InChI=1S/C30H40N4O6/c1-3-5-10-18-31(19-11-6-4-2)29(39)32-20-21-33(26(22-32)28(37)38)30(40)34(24-12-8-7-9-13-24)25-16-14-23(15-17-25)27(35)36/h7-9,12-17,26H,3-6,10-11,18-22H2,1-2H3,(H,35,36)(H,37,38)/t26-/m0/s1