N-[(3Z)-9-methyl-1-oxo-3-decen-1-yl]-L-alpha-aspartyl-(2S,3R)-2,3-diaminobutanoyl-(2R)-2-piperidinecarbonyl-(3S)-3-methyl-L-alpha-aspartyl-L-alpha-aspartylglycyl-L-alpha-aspartylglycyl-(2R,3R)-2,3-diaminobutanoyl-L-valyl-L-proline(11-->2)-lactam
N-[(3Z)-9-methyl-1-oxo-3-decen-1-yl]-L-alpha-aspartyl-(2S,3R)-2,3-diaminobutanoyl-(2R)-2-piperidinecarbonyl-(3S)-3-methyl-L-alpha-aspartyl-L-alpha-aspartylglycyl-L-alpha-aspartylglycyl-(2R,3R)-2,3-diaminobutanoyl-L-valyl-L-proline(11-->2)-lactam · CAS 1562369-96-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-[(3Z)-9-methyl-1-oxo-3-decen-1-yl]-L-alpha-aspartyl-(2S,3R)-2,3-diaminobutanoyl-(2R)-2-piperidinecarbonyl-(3S)-3-methyl-L-alpha-aspartyl-L-alpha-aspartylglycyl-L-alpha-aspartylglycyl-(2R,3R)-2,3-diaminobutanoyl-L-valyl-L-proline(11-->2)-lactam
- CAS
- 1562369-96-3
- CID
- 137700102
- IUPAC 名称
- (3S)-4-[[(3S,4R,7S,13S,16R,22S,28S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(Z)-9-methyldec-3-enoyl]amino]-4-oxobutanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-[(3Z)-9-methyl-1-oxo-3-decen-1-yl]-L-alpha-aspartyl-(2S,3R)-2,3-diaminobutanoyl-(2R)-2-piperidinecarbonyl-(3S)-3-methyl-L-alpha-aspartyl-L-alpha-aspartylglycyl-L-alpha-aspartylglycyl-(2R,3R)-2,3-diaminobutanoyl-L-valyl-L-proline(11-->2)-lactam
- CAS
- 1562369-96-3
- CID
- 137700102
- IUPAC 名称
- (3S)-4-[[(3S,4R,7S,13S,16R,22S,28S,34R)-16-[(1R)-1-aminoethyl]-31-[(1S)-1-carboxyethyl]-22,28-bis(carboxymethyl)-4-methyl-2,6,12,15,18,21,24,27,30,33-decaoxo-13-propan-2-yl-1,5,11,14,17,20,23,26,29,32-decazatricyclo[32.4.0.07,11]octatriacontan-3-yl]amino]-3-[[(Z)-9-methyldec-3-enoyl]amino]-4-oxobutanoic acid
分子属性
- 分子式
- C56H87N13O20
- 分子量
- 1262.4 g/mol
- 精确质量
- 1261.61903222 Da
- 单同位素质量
- 1261.61903222 Da
- XLogP
- -4
- 极性表面积
- 507 Ų
- 氢键供体
- 15
- 氢键受体
- 21
- 可旋转键
- 20
- 重原子数
- 89
- 净电荷
- 0
- 结构复杂度
- 2670
结构标识
- InChIKey
- RWKODFJGLUVNKT-IJVAMUGQSA-N
- SMILES
- C[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C(=O)NC(C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)C(C)C)[C@@H](C)N)CC(=O)O)CC(=O)O)[C@H](C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C/C=C\CCCCC(C)C
- InChI
- InChI=1S/C56H87N13O20/c1-27(2)16-11-9-8-10-12-19-37(70)61-34(24-42(77)78)49(81)67-46-31(7)60-50(82)36-18-15-21-69(36)54(86)43(28(3)4)65-53(85)45(30(6)57)64-39(72)26-59-47(79)32(22-40(73)74)62-38(71)25-58-48(80)33(23-41(75)76)63-52(84)44(29(5)56(88)89)66-51(83)35-17-13-14-20-68(35)55(46)87/h10,12,27-36,43-46H,8-9,11,13-26,57H2,1-7H3,(H,58,80)(H,59,79)(H,60,82)(H,61,70)(H,62,71)(H,63,84)(H,64,72)(H,65,85)(H,66,83)(H,67,81)(H,73,74)(H,75,76)(H,77,78)(H,88,89)/b12-10-/t29-,30+,31+,32-,33-,34-,35+,36-,43-,44?,45+,46-/m0/s1