Beta casomorphin 8 protein, human

(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid

Also Known As: Human beta casomorphin 8|Beta casomorphin 8, human|beta-Casomorphin 8, human|beta-Casomorphin-8[human]|Beta casomorphin 8 protein, human|Pro-tyr-pro-phe-val-glu-pro-ile-NH2|Tyr-Pro-Phe-Val-Glu-Pro-Ile-Pro|Prolyl-tyrosyl-prolyl-phenylalanyl-valyl-glutamyl-prolyl-isoleucinamide|(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid|(2S)-1-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-PHENYLPROPANAMIDO]-3-METHYLBUTANAMIDO]-4-CARBOXYBUTANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-METHYLPENTANOYL]PYRROLIDINE-2-CARBOXYLIC ACID|L-Proline, 1-(N-(1-(N-(N-(N-(1-L-tyrosyl-L-prolyl)-L-phenylalanyl)-L-valyl)-L-alpha-glutamyl)-L-prolyl)-L-isoleucyl)-

Molecular Formula	C49H68N8O12
Molecular Weight	960.49567 g/mol
LogP	0.7
Topological Polar Surface Area	298.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	13
Rotatable Bonds	22
Exact Mass	960.49567
Monoisotopic Mass	960.49567
Heavy Atoms	69
Complexity	1840.0

Chemical Identifiers

CAS Number	95210-75-6
SMILES	CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)N
InChIKey	GBYIGSOSWSECBF-RZTACLFWSA-N