H-Tyr-D-Cys(tBu)(tBu)-Gly-Phe-Leu-Thr(tBu)-OH

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butylsulfanylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid

Also Known As: BUBUC|H-Tyr-D-Cys(tBu)-Gly-Phe-Leu-Thr(tBu)-OH|L-Tyrosyl-S-tert-butyl-D-cysteinylglycyl-L-phenylalanyl-L-leucyl-O-tert-butyl-L-threonine|(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-tert-butylsulfanylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid

Molecular Formula	C41H62N6O9S
Molecular Weight	814.4299 g/mol
LogP	2.4261
Topological Polar Surface Area	238.28 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	10
Rotatable Bonds	21
Exact Mass	814.4299
Monoisotopic Mass	814.4299
Heavy Atoms	57
Complexity	1644.501

Chemical Identifiers

CAS Number	38-84-6
SMILES	C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](CSC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)OC(C)(C)C