(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid（CAS号：148914-01-6）

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid

基本信息

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CAS号

148914-01-6

分子式

C86H151N31O26S2

分子量

2099.4 g/mol

基本物理性质

SMILES

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CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC1=CNC=N1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)N

InChI

InChI=1S/C86H151N31O26S2/c1-43(2)38-59(114-74(133)52(20-15-35-100-86(95)96)106-76(135)55(23-27-64(122)123)108-70(129)48(16-9-11-31-87)103-67(126)45(5)89)79(138)110-54(22-26-63(120)121)69(128)102-46(6)68(127)104-49(17-10-12-32-88)73(132)115-60(39-47-40-97-42-101-47)80(139)107-51(19-14-34-99-85(93)94)71(130)109-56(24-28-65(124)125)75(134)105-50(18-13-33-98-84(91)92)72(131)112-57(29-36-144-7)77(136)116-61(41-118)81(140)111-53(21-25-62(90)119)78(137)117-66(44(3)4)82(141)113-58(83(142)143)30-37-145-8/h40,42-46,48-61,66,118H,9-39,41,87-89H2,1-8H3,(H2,90,119)(H,97,101)(H,102,128)(H,103,126)(H,104,127)(H,105,134)(H,106,135)(H,107,139)(H,108,129)(H,109,130)(H,110,138)(H,111,140)(H,112,131)(H,113,141)(H,114,133)(H,115,132)(H,116,136)(H,117,137)(H,120,121)(H,122,123)(H,124,125)(H,142,143)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t45-,46-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,66-/m0/s1

InChIKey

BGLAPDCFQFNPSN-QTISJAEISA-N

LogP

2.89740

拓扑极性表面积

970.5600000000002 Å²

氢键供体/受体

42 / 57

复杂度

4300

同义词与引用数据

英文

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydrox
ALA-LYS-GLU-ARG-LEU-GLU-ALA-LYS-HIS-ARG-GLU-ARG-MET-SER-GLN-VAL-MET
148914-01-6
L-Methionine,L-alanyl-L-lysyl-L-a-glutamyl-L-arginyl-L-leucyl-L-a-glutamyl-L-alanyl-L-lysyl-L-histidyl-L-arginyl-L-a-glutamyl-L-arginyl-L-methionyl-L-seryl-L-glutaminyl-L-valyl-
L-Methionine,L-alanyl-L-lysyl-L-a-glutamyl-L-arginyl-L-leucyl-L-a-glutamyl-L-alanyl-L-lysyl-L-...
L-Methionine,L-alanyl-L-lysyl-L-a-glutamyl-L-arginyl-L-leucyl-L-a-glutamyl-L-alanyl-L-lysyl-L-histidyl-L-arginyl-L-a-glutamyl
[beta]-Amyloid
A4 Protein Precursor770 (394-410)
A4 Protein Precursor770 (394-410),APP770 (394-410)
A4 Protein Precusor (APP) (319-335)
A4ProteinPrecursor???(394-410)
ala-lys-glu-arg-leu-glu-ala-lys-his-*arg-glu-arg
AMyloid b
Amyloid β
APP (319-335)
APP770 (394-410)
β-Amyloid
ALA-LYS-GLU-ARG-LEU-GLU-ALA-LYS-HIS-ARG&
ala-lys-glu-arg-leu-glu-ala-lys-his-*arg-glu-arg-
A4 PROTEIN PRECURSOR (319-335)
-Amyloid
AMYLOID BETA
BETA-AMYLOID
Amyloid b/A4 Protein Precursor770 (394-410) Trifluoroacetate