RI 61

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid

Also Known As: RI 61|RI-61|Pro-his-pro-phe-his-leu-phe-val-phe|(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid|L-prolyl-L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-L-leucyl-L-phenylalanyl-L-valyl-L-phenylalanine|L-Phenylalanine, N-(N-(N-(N-(N-(N-(1-(N-L-prolyl-L-histidyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)-L-leucyl)-L-phenylalanyl)-L-valyl)-

Molecular Formula	C60H77N13O10
Molecular Weight	1139.5917 g/mol
LogP	2.5
Topological Polar Surface Area	331.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	13
Rotatable Bonds	29
Exact Mass	1139.5917
Monoisotopic Mass	1139.5917
Heavy Atoms	83
Complexity	2170.0

Chemical Identifiers

CAS Number	95034-26-7
SMILES	CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CN=CN6)NC(=O)[C@@H]7CCCN7
InChIKey	NFZJRXURMNGBNB-ZTNWZYIDSA-N