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L-Valine,N-[N-[4-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-,methyl ester, [S-(R*,R*)]- (9CI) | 127231-52-1

L-Valine,N-[N-[4-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-,methyl ester, [S-(R*,R*)]- (9CI)结构式图片|127231-52-1结构式图片
L-Valine,N-[N-[4-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-,methyl ester, [S-(R*,R*)]- (9CI)
127231-52-1
C35H63N7O11
757.91502
452184
名称和标识符
InChIKey XWTJFLQWGRKTRQ-JIYBXTARSA-N
Inchi InChI=1S/C35H63N7O11/c1-11-20(8)30(34(51)42-29(19(6)7)35(52)53-10)41-28(47)15-26(45)22(12-17(2)3)38-32(49)24(14-27(36)46)40-31(48)23(13-18(4)5)39-33(50)25(16-43)37-21(9)44/h17-20,22-26,29-30,43,45H,11-16H2,1-10H3,(H2,36,46)(H,37,44)(H,38,49)(H,39,50)(H,40,48)(H,41,47)(H,42,51)/t20-,22-,23-,24-,25-,26-,29-,30-/m0/s1
SMILES CC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]([C@H](CC(N[C@H](C(N[C@H](C(OC)=O)C(C)C)=O)[C@H](CC)C)=O)O)CC(C)C)=O)CC(=O)N)=O)CC(C)C)=O)CO)=O
别名信息
- 中文别名 -
- 英文别名 -
  • L-Valine,N-[N-[4-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-,methyl ester, [S-(R*,R*)]- (9CI)
  • L-Valine,N-[N-[4-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-,meth
  • methyl (2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylpe
  • CHEMBL52494
  • AcSerLeuAsnSta[CHOHCH2]IleValOMe
  • [N-(AcetylSerLeuAsn)-4-amino-3-hydroxy-6-methyl-1-oxo-heptyl]IleValine methyl ester
  • AcSerLeuAsnSta(CHOHCH2)IleValOMe
  • L-Valine, N-(N-(4-((N2-(N-(N-acetyl-L-seryl)-L-leucyl)-L-asparaginyl)amino)-3-hydroxy-6-methyl-1-oxoheptyl)-L-isoleucyl)-, methyl ester, (S-(R*,R*))-
  • 127231-52-1
  • BDBM50000902
  • (N-(AcetylSerLeuAsn)-4-amino-3-hydroxy-6-methyl-1-oxo-heptyl)IleValine methyl ester
  • DTXSID20155480
  • methyl (2S)-2-[[(2S,3S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoate
  • L-Valine, N-[N-[4(S)-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3(S)-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-, methyl ester
物化性质
实验特性
PSA 284.45
折射率 1.512
沸点 1114.5°Cat760mmHg
闪点 627.8°C
密度 1.174
计算特性
精确分子量 757.45889
氢键供体数量 9
氢键受体数量 11
可旋转化学键数量 25
同位素质量 757.459
重原子数量 53
复杂度 1260
同位素原子数量 0
确定原子立构中心数量 8
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.3
拓扑分子极性表面积 284Ų
专业数据库参考
PubChemId 452184
化合物详情(旧版)

SMILES

CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC

L-Valine,N-[N-[4-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-,methyl ester, [S-(R*,R*)]- (9CI)推荐生产厂家
960化工网为您提供L-Valine,N-[N-[4-[[N2-[N-(N-acetyl-L-seryl)-L-leucyl]-L-asparaginyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]-L-isoleucyl]-,methyl ester, [S-(R*,R*)]- (9CI)专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:127231-52-1,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:127231-52-1
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