AC1Q5QOO

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

Also Known As: H 77|H-77|D-HIS-PRO-PHE-HIS-LEU-PSI-(CH2NH)-*LEU-V AL-TYR|(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid|d-histidyl-l-prolyl-l-phenylalanyl-n-[(2s)-1-{[(2s)-1-{[(2s)-1-{[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]amino}-4-methylpentan-2-yl]-l-histidinamide|((S)-2-((S)-2-((S)-2-((S)-1-(D-histidyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)-3-(1H-imidazol-4-yl)propanamido)-4-methylpentyl)-L-leucyl-L-valyl-L-tyrosine|(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentyl]amino]-4-methylpentanoyl]amino]-3-methylbut|(s)-n-(n-(n-(2-((n-(n-(1-d-histidyl-l-prolyl)-l-phenylalanyl)-l-histidyl)amino)-4-methylpentyl)-l-leucyl)-l-valyl)-l-tyrosine|L-Tyrosine, N-(N-(N-(2-((N-(N-(1-D-histidyl-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)-4-methylpentyl)-L-leucyl)-L-valyl)-, (S)-

Molecular Formula	C52H74N12O9
Molecular Weight	1010.5702 g/mol
LogP	1.7
Topological Polar Surface Area	319.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	13
Rotatable Bonds	28
Exact Mass	1010.5702
Monoisotopic Mass	1010.5702
Heavy Atoms	73
Complexity	1790.0

Chemical Identifiers

CAS Number	867-68-5
SMILES	CC(C)C[C@@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)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
InChIKey	ABDWINSTWUZFIV-RLWIUDPYSA-N