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Cyclo(phenylalanyl-phenylalanyl)

PubChem CID: 76116

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Compound Synonyms 2862-51-3, CYCLO(-PHE-PHE), cyclo(L-Phe-L-Phe), Cyclo(phenylalanyl-phenylalanyl), (3s,6s)-3,6-dibenzylpiperazine-2,5-dione, Cyclo(phe-phe), 2,5-Piperazinedione, 3,6-bis(phenylmethyl)-, (3S,6S)-, CHEBI:71610, CHEMBL126124, cyclo(L-phenylalanyl-L-phenylalanyl), MFCD00190985, SCHEMBL1405670, DTXSID00182799, JUAPMRSLDANLAS-HOTGVXAUSA-N, BDBM50505726, AKOS028113012, HY-W549438, DA-62583, CS-0661771, (3S,6Z)-3,6-dibenzylpiperazine-2,5-dione, E78058, (3S,6S)-3,6-bis(phenylmethyl)-piperazine-2,5-dione, (3S,6S)-3,6-Bis(phenylmethyl)piperazine-2,5-dione, Q27139753, 2,5-Piperazinedione, 3,6-bis(phenylmethyl)-, (3S-cis)-
Topological Polar Surface Area 58.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 360.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id P07384, A0A0T9WNE5
Iupac Name (3S,6S)-3,6-dibenzylpiperazine-2,5-dione
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C18H18N2O2
Prediction Swissadme 0.0
Inchi Key JUAPMRSLDANLAS-HOTGVXAUSA-N
Fcsp3 0.2222222222222222
Logs -3.362
Rotatable Bond Count 4.0
Logd 3.1
Compound Name Cyclo(phenylalanyl-phenylalanyl)
Prediction Hob Swissadme 0.0
Exact Mass 294.137
Formal Charge 0.0
Monoisotopic Mass 294.137
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 294.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -3.896231163636364
Inchi InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)/t15-,16-/m0/s1
Smiles C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3
Nring 3.0
Defined Bond Stereocenter Count 0.0