Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-

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

Also Known As: Bradykinin, 6-l-threonine-9a-l-lysine-9b-l-alanine-|n5-(diaminomethylidene)-l-ornithyl-l-prolyl-l-prolylglycyl-l-phenylalanyl-l-threonyl-l-prolyl-l-phenylalanyl-n5-(diaminomethylidene)-l-ornithyl-l-lysylalanine|2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]propanoic acid

Molecular Formula	C60H92N18O13
Molecular Weight	1272.7091 g/mol
LogP	-5.1
Topological Polar Surface Area	503.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	17
Rotatable Bonds	35
Exact Mass	1272.7091
Monoisotopic Mass	1272.7091
Heavy Atoms	91
Complexity	2540.0

Chemical Identifiers

CAS Number	32644-30-7
SMILES	C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N)O
InChIKey	NBJDVMGGVNAGFE-LCYUMNCKSA-N