L-Methioninamide, L-a-aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-b-alanyl-L-leucyl- (9CI) | 132041-94-2
L-Methioninamide, L-a-aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-b-alanyl-L-leucyl- (9CI)
132041-94-2
C39H56N8O10S
828.974540000001
名称和标识符
InChIKey |
YASUUTPQYSSIAK-UHFFFAOYSA-N |
Inchi |
InChI=1S/C39H56N8O10S/c1-23(2)18-28(37(55)44-27(34(41)52)15-17-58-3)43-32(49)14-16-42-36(54)29(19-24-10-6-4-7-11-24)45-38(56)30(20-25-12-8-5-9-13-25)46-39(57)31(22-48)47-35(53)26(40)21-33(50)51/h4-13,23,26-31,48H,14-22,40H2,1-3H3,(H2,41,52)(H,42,54)(H,43,49)(H,44,55)(H,45,56)(H,46,57)(H,47,53)(H,50,51) |
SMILES |
CSCCC(NC(C(NC(CCNC(C(NC(C(NC(C(NC(C(CC(=O)O)N)=O)CO)=O)CC1C=CC=CC=1)=O)CC1C=CC=CC=1)=O)=O)CC(C)C)=O)C(=O)N |
别名信息
- 英文别名 -
- L-Methioninamide, L-a-aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-b-alanyl-L-leucyl- (9CI)
- R 487
- Aspartyl-seryl-phenylalanyl-phenylalanyl-beta-alanyl-leucyl-methioninamide
- Asp-ser-phe-phe-beta-ala-leu-met-NH2
- L-alpha-Aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-beta-alanyl-L-leucyl-L-methioninamide
- L-Methioninamide, L-alpha-aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-beta-alanyl-L-leucyl-
- R-487
- 132041-94-2
- (5S,8S,15S,18S,21S,24S)-24-amino-15,18-dibenzyl-5-carbamoyl-21-(hydroxymethyl)-8-isobutyl-7,10,14,17,20,23-hexaoxo-2-thia-6,9,13,16,19,22-hexaazahexacosan-26-oic acid
- DTXSID70927513
- AKOS040753684
- 24-Amino-15,18-dibenzyl-7,10,14,17,20,23-hexahydroxy-5-[hydroxy(imino)methyl]-21-(hydroxymethyl)-8-(2-methylpropyl)-2-thia-6,9,13,16,19,22-hexaazahexacosa-6,9,13,16,19,22-hexaen-26-oic acid
- (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
物化性质
实验特性
计算特性
精确分子量 |
828.38438 |
氢键供体数量 |
10 |
氢键受体数量 |
12 |
可旋转化学键数量 |
26 |
同位素质量 |
828.38401119g/mol |
重原子数量 |
58 |
复杂度 |
1380 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
6 |
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) |
-2.4 |
拓扑分子极性表面积 |
327Ų |
L-Methioninamide, L-a-aspartyl-L-seryl-L-phenylalanyl-L-phenylalanyl-b-alanyl-L-leucyl- (9CI)推荐生产厂家