H 261

(2S)-2-[[(2R,3S)-2-[[(2S,4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-2-propan-2-yloctanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Also Known As: H 261 Oligopeptide|H-261 Oligopeptide|his-pro-phe-his-leu(OH)-val-ile-his|H 261|H-261|H261|T-Boc-His-Pro-Phe-His-Leu(OH)-Val-Ile-His|(2S)-2-[[(2R,3S)-2-[[(2S,4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-7-methyl-2-propan-2-yloctanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid|L-Histidine, L-histidyl-L-prolyl-L-phenylalanyl-L-histidyl-(2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(1-methylethyl)octanoyl-L-isoleucyl-|L-Histidine, N-(N-(5-((N-(N-(1-L-histidyl-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-4-hydroxy-7-methyl-2-(1-methylethyl)-1-oxooctyl)-L-isoleucyl)-, (2S-(2R*,4R*,5R*))-|l-histidyl-l-prolyl-l-phenylalanyl-n-[(4s,5s,7s)-7-{[(2r,3s)-1-{[(1s)-1-carboxy-2-(1h-imidazol-4-yl)ethyl]amino}-3-methyl-1-oxopentan-2-yl]carbamoyl}-5-hydroxy-2,8-dimethylnonan-4-yl]-l-histidinamide

Molecular Formula	C50H73N13O9
Molecular Weight	999.5654 g/mol
LogP	0.4
Topological Polar Surface Area	335.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	13
Rotatable Bonds	28
Exact Mass	999.5654
Monoisotopic Mass	999.5654
Heavy Atoms	72
Complexity	1790.0

Chemical Identifiers

CAS Number	97451-34-8
SMILES	CC[C@H](C)[C@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)N)O)C(C)C
InChIKey	UGJSFMSTPAPJJO-FWHCSXHRSA-N