tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine

2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoic acid

又称：Boc-bgat, Boc-val-ser(bzl)-gln-asn-tyr(brz)OH, tert-Butyloxycarbonyl-valyl-benzylseryl-glutaminyl-asparaginyl-(brz)tyrosine, 2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]amino]-3-phenylmethoxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-[4-[(4-bromophenyl)methoxycarbonyloxy]phenyl]propanoic acid, L-Tyrosine, N-(N2-(N2-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-O-(phenylmethyl)-L-seryl)-L-glutaminyl)-L-asparaginyl)-, (4-bromophenyl)methyl carbonate (ester)

分子式	C46H58BrN7O14
分子量	1011.32 g/mol
LogP	3.5
拓扑极性表面积	323.0 Ų
氢键供体数	8
氢键受体数	14
可旋转键数	30
精确质量	1011.3225
重原子数	68
复杂度	1680.0

化学标识符

CAS 编号	15398-87-5
SMILES	CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)OC(=O)OCC3=CC=C(C=C3)Br)C(=O)O
InChIKey	ROQVHFVDSPTYHV-ZJOZRNNHSA-N