L-alpha-Aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-O-sulfo-L-tyrosyl-L-leucyl-L-glutamine（CAS号：109528-50-9）

L-alpha-Aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-O-sulfo-L-tyrosyl-L-leucyl-L-glutamine

基本信息

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CAS号

109528-50-9

分子式

C64H90N12O27S

分子量

1491.55 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C64H90N12O27S/c1-5-33(4)53(75-58(92)41(21-26-51(84)85)68-55(89)38(18-23-48(78)79)69-60(94)44(29-34-10-7-6-8-11-34)72-54(88)37(65)31-52(86)87)63(97)76-27-9-12-46(76)62(96)70-40(20-25-50(82)83)56(90)67-39(19-24-49(80)81)57(91)74-45(30-35-13-15-36(16-14-35)103-104(100,101)102)61(95)73-43(28-32(2)3)59(93)71-42(64(98)99)17-22-47(66)77/h6-8,10-11,13-16,32-33,37-46,53H,5,9,12,17-31,65H2,1-4H3,(H2,66,77)(H,67,90)(H,68,89)(H,69,94)(H,70,96)(H,71,93)(H,72,88)(H,73,95)(H,74,91)(H,75,92)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H,98,99)(H,100,101,102)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-/m0/s1

InChIKey

DRTFLFZDIZEZKV-JXKVUTFHSA-N

LogP

-3.2889000000000186

拓扑极性表面积

638.7199999999999 Å²

氢键供体/受体

20 / 39

复杂度

3170

同义词与引用数据

英文

5-Amino-2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
alpha-Aspartylphenylalanyl-alpha-glutamyl-alpha-glutamylisoleucylprolyl-alpha-glutamyl-alpha-glutamyl-O-sulfotyrosylleucylglutamine
DTXSID00583166
109528-50-9
L-Glutamine, L-a-aspartyl-L-phenylalanyl-L-a-glutamyl-L-a-glutamyl-L-isoleucyl-L-prolyl-L-a-glutamyl-L-a-glutamyl-O-sulfo-L-tyrosyl-L-leucyl-
Hirudin (55-65) (sulfated)
L-Glutamine, L-a-aspartyl-L-phenylalanyl-L-a-glutamyl-L-a-glutamyl-L-isoleucyl-L-prolyl-L-a-gl...
L-Glutamine, L-a-aspartyl-L-phenylalanyl-L-a-glutamyl-L-a-glutamyl-L-isoleucyl-L-prolyl-L-a-glutamyl-L-a-glutamyl-O-sulfo-L-t
[tyr(so3h)63]-hirudin fragment 55-65
ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYR[SO3H]-LEU-GLN
H-ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYR(SO3H)-LEU-GLN-OH
HIRUDIN [TYR(SO3H)63]-FRAGMENT 55-65