CID 11788251
CID 11788251 · CAS 189035-43-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- CID 11788251
- CAS
- 189035-43-6
- CID
- 11788251
- IUPAC 名称
- (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(3S)-4-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- CID 11788251
- CAS
- 189035-43-6
- CID
- 11788251
- IUPAC 名称
- (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(3S)-4-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
分子属性
- 分子式
- C112H189N15O70
- 分子量
- 2865.8 g/mol
- 精确质量
- 2865.1724193 Da
- 单同位素质量
- 2864.1690644 Da
- XLogP
- -33.8
- 极性表面积
- 1360 Ų
- 氢键供体
- 49
- 氢键受体
- 73
- 可旋转键
- 67
- 重原子数
- 197
- 净电荷
- 0
- 结构复杂度
- 6030
结构标识
- InChIKey
- LNEMWGJTCPVXDY-GJOGVMFASA-N
- SMILES
- C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)NC(=O)C)O)O[C@@H]8[C@H]([C@H]([C@
- InChI
- InChI=1S/C112H189N15O70/c1-33(2)59(126-95(167)42(115)15-11-13-17-113)98(170)116-34(3)94(166)124-44(97(169)123-43(16-12-14-18-114)96(168)127-60(35(4)136)100(171)172)19-58(147)125-99-63(119-38(7)139)74(155)85(51(26-132)180-99)189-101-64(120-39(8)140)75(156)88(54(29-135)183-101)192-106-84(165)91(193-108-93(81(162)70(151)50(25-131)182-108)195-103-66(122-41(10)142)77(158)87(53(28-134)185-103)191-105-83(164)79(160)72(153)57(188-105)32-179-112(110(175)176)21-46(144)62(118-37(6)138)90(197-112)68(149)48(146)23-129)73(154)55(186-106)30-177-107-92(80(161)69(150)49(24-130)181-107)194-102-65(121-40(9)141)76(157)86(52(27-133)184-102)190-104-82(163)78(159)71(152)56(187-104)31-178-111(109(173)174)20-45(143)61(117-36(5)137)89(196-111)67(148)47(145)22-128/h33-35,42-57,59-93,99,101-108,128-136,143-146,148-165H,11-32,113-115H2,1-10H3,(H,116,170)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,169)(H,124,166)(H,125,147)(H,126,167)(H,127,168)(H,171,172)(H,173,174)(H,175,176)/t34-,35+,42-,43-,44-,45-,46-,47+