Cyclo(trp-lys-thr-phe-pro-phe)acetate

(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]-N-[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide

Also Known As: Cyclo(trp-lys-thr-phe-pro-phe)acetate|L 363568|L-363,568|(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]-N-[(2S)-1-[[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2,5-dihydropyrrole-2-carboxamide|Cyclo(L-lysyl-L-threonyl-L-phenylalanyl-L-prolyl-L-phenylalanyl-D-tryptophyl)|N-[(2R)-1-(1H-Indol-3-yl)-3-oxopropan-2-yl]-Nalpha-[(2S)-1-(L-lysyl-L-threonyl-L-phenylalanyl)-2,5-dihydro-1H-pyrrole-2-carbonyl]-L-phenylalaninamide

Molecular Formula	C44H54N8O7
Molecular Weight	806.41156 g/mol
LogP	2.2
Topological Polar Surface Area	242.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	9
Rotatable Bonds	21
Exact Mass	806.41156
Monoisotopic Mass	806.41156
Heavy Atoms	59
Complexity	1440.0

Chemical Identifiers

CAS Number	77236-35-2
SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CC=C[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C=O)NC(=O)[C@H](CCCCN)N)O
InChIKey	WNFMQQRLCXKKFH-FRAGMDTNSA-N