远霉素
Telomycin · CAS 19246-24-3
- 中文名
- 远霉素
- 中文别名
- 暂无
- 英文名
- Telomycin
- CAS
- 19246-24-3
- CID
- 90478641
- IUPAC 名称
- (2S)-2-amino-4-[[(2S)-1-[[(3S,6S,12S,13S,21S,24S,27S,28R,31S,32R)-13,32-dihydroxy-24-[(1S)-1-hydroxyethyl]-3-[(1S)-1-hydroxy-2-methylpropyl]-6-[1-(1H-indol-3-yl)ethyl]-9-(1H-indol-3-ylmethylidene)-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octazatricyclo[29.3.0.012,16]tetratriacontan-27-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
名称与编号
- 中文名
- 远霉素
- 中文别名
- 暂无
- 英文名
- Telomycin
- CAS
- 19246-24-3
- CID
- 90478641
- IUPAC 名称
- (2S)-2-amino-4-[[(2S)-1-[[(3S,6S,12S,13S,21S,24S,27S,28R,31S,32R)-13,32-dihydroxy-24-[(1S)-1-hydroxyethyl]-3-[(1S)-1-hydroxy-2-methylpropyl]-6-[1-(1H-indol-3-yl)ethyl]-9-(1H-indol-3-ylmethylidene)-21,28-dimethyl-2,5,8,11,17,20,23,26,30-nonaoxo-29-oxa-1,4,7,10,16,19,22,25-octazatricyclo[29.3.0.012,16]tetratriacontan-27-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
分子属性
- 分子式
- C59H77N13O19
- 分子量
- 1272.3 g/mol
- 精确质量
- 1271.54586728 Da
- 单同位素质量
- 1271.54586728 Da
- XLogP
- -3.7
- 极性表面积
- 496 Ų
- 氢键供体
- 17
- 氢键受体
- 20
- 可旋转键
- 13
- 重原子数
- 91
- 净电荷
- 0
- 结构复杂度
- 2760
结构标识
- InChIKey
- FJEKCPBQVANMTA-GRZFNQFESA-N
- SMILES
- C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2CC[C@@H]([C@H]2C(=O)NC(=CC3=CNC4=CC=CC=C43)C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CC[C@H]([C@H]5C(=O)O1)O)[C@H](C(C)C)O)C(C)C6=CNC7=CC=CC=C76)O)C)[C@H](C)O)NC(=O)[C@H](CO)NC(=O)C[C@@H](C(=O)O)N
- InChI
- InChI=1S/C59H77N13O19/c1-25(2)49(79)46-57(87)72-18-16-40(76)48(72)59(90)91-29(6)45(69-52(82)38(24-73)65-41(77)20-34(60)58(88)89)55(85)68-44(28(5)74)54(84)64-27(4)50(80)63-23-42(78)71-17-15-39(75)47(71)56(86)66-37(19-30-21-61-35-13-9-7-11-31(30)35)51(81)67-43(53(83)70-46)26(3)33-22-62-36-14-10-8-12-32(33)36/h7-14,19,21-22,25-29,34,38-40,43-49,61-62,73-76,79H,15-18,20,23-24,60H2,1-6H3,(H,63,80)(H,64,84)(H,65,77)(H,66,86)(H,67,81)(H,68,85)(H,69,82)(H,70,83)(H,88,89)/t26?,27-,28-,29+,34-,38-,39-,40+,43-,44-,45-,46-,47-,48-,49-/m0/s1