2-[[(2S)-4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazin-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(2S)-4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(2S)-4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[(2S)-4-[(dipentylamino)-oxomethyl]-1-[oxo-(N-phenylanilino)methyl]-2-piperazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(2S)-4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]amino]acetic acid Traditional Name: 2-[[(2S)-4-(diamylcarbamoyl)-1-(diphenylcarbamoyl)piperazine-2-carbonyl]amino]acetic acid Formula: C31H43N5O5 MolecularWeight: 565.70362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43N5O5/c1-3-5-13-19-33(20-14-6-4-2)30(40)34-21-22-35(27(24-34)29(39)32-23-28(37)38)31(41)36(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,27H,3-6,13-14,19-24H2,1-2H3,(H,32,39)(H,37,38)/t27-/m0/s1