Cyclo(alanyl-prolyl-phenylalanyl-proline)

(2S)-1-[(2S)-2-aminopropanoyl]-N-[(2S)-1-[(2S)-2-formyl-2,5-dihydropyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-aminopropanoyl]-N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide

Also Known As: Cyclo(ala-pro-phe-pro)|Cyclo(alanyl-prolyl-phenylalanyl-proline)|Cyclo(L-ala-L-pro-D-phe-L-pro)|Cyclo(L-ala-L-pro-L-phe-L-pro)|(2S)-1-[(2S)-2-aminopropanoyl]-N-[(2S)-1-[(2S)-2-formyl-2,5-dihydropyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-aminopropanoyl]-N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide|Cyclic(L-alanyl-L-prolyl-D-phenylalanyl-L-prolyl), compd. with cyclic(L-alanyl-L-prolyl-L-phenylalanyl-L-prolyl) (1:1)|(2S)-1-[(2S)-2-aminopropanoyl]-N-[(2S)-1-[(2S)-2-formyl-2,5-dihydropyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide; (2S)-1-[(2S)-2-aminopropanoyl]-N-[(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide|(2S)-1-L-Alanyl-N-{(2R)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl}-2,5-dihydro-1H-pyrrole-2-carboxamide--L-alanyl-N-{(2S)-1-[(2S)-2-formyl-2,5-dihydro-1H-pyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl}-L-prolinamide (1/1)

Molecular Formula	C44H56N8O8
Molecular Weight	824.4221 g/mol
LogP	0.036
Topological Polar Surface Area	226.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	14
Exact Mass	824.4221
Monoisotopic Mass	824.4221
Heavy Atoms	60
Complexity	1380.0

Chemical Identifiers

CAS Number	84107-30-2
SMILES	C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CC=C[C@H]3C=O)N.C[C@@H](C(=O)N1CC=C[C@H]1C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C=O)N
InChIKey	IDBVMFAYRYSXSR-YVVJVOLUSA-N