Tuftsinyltuftsin

(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Also Known As: Tuftsinyltuftsin|Thr-lys-pro-arg-thr-lys-pro-arg|Threonyl-lysyl-prolyl-arginyl-threonyl-lysyl-prolyl-arginine|L-Arginine, N2-(1-(N2-(N-(N2-(1-(N2-L-threonyl-L-lysyl)-L-prolyl)-L-arginyl)-L-threonyl)-L-lysyl)-L-prolyl)-|(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid|l-threonyl-l-lysyl-l-prolyl-n5-(diaminomethylidene)-l-ornithyl-l-threonyl-l-lysyl-l-prolyl-n5-(diaminomethylidene)-l-ornithine

Molecular Formula	C42H78N16O11
Molecular Weight	982.6036 g/mol
LogP	-8.3
Topological Polar Surface Area	471.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	16
Rotatable Bonds	31
Exact Mass	982.6036
Monoisotopic Mass	982.6036
Heavy Atoms	69
Complexity	1780.0

Chemical Identifiers

CAS Number	85409-44-5
SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O
InChIKey	GCQKMLBIJULQQS-YCSONJRRSA-N