3776-38-3 (4H-咪唑并[4,5-c]吡啶-4-酮,2-[[4-O-(氨基羰基)-2-[(3S)-3-氨基-6-[(3S)-3,6-二氨基-1-氧代己基]氨基]-1-氧代己基]氨基]-2-脱氧-b-D-吡喃古龙糖基]氨基]-1,3a,5,6,7,7a-六氢-7-羟基-(3aS,7R,7aS)-,4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,(3aS,7R,7aS)-)

CAS号:
3776-38-3
中文名称:
4H-咪唑并[4,5-c]吡啶-4-酮,2-[[4-O-(氨基羰基)-2-[(3S)-3-氨基-6-[(3S)-3,6-二氨基-1-氧代己基]氨基]-1-氧代己基]氨基]-2-脱氧-b-D-吡喃古龙糖基]氨基]-1,3a,5,6,7,7a-六氢-7-羟基-(3aS,7R,7aS)-
英文名称:
4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,(3aS,7R,7aS)-
分子式:
C25H46N10O9
分子量:
630.694344997406

4H-咪唑并[4,5-c]吡啶-4-酮,2-[[4-O-(氨基羰基)-2-[(3S)-3-氨基-6-[(3S)-3,6-二氨基-1-氧代己基]氨基]-1-氧代己基]氨基]-2-脱氧-b-D-吡喃古龙糖基]氨基]-1,3a,5,6,7,7a-六氢-7-羟基-(3aS,7R,7aS)-(3776-38-3)名称与标识符

名称

英文别名:
4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,(3aS,7R,7aS)-;4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]ami;4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-[[(3S)-3-amino-6-[[(3S)-3,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-deoxy-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,(3a;2-({3-Amino-6-[(3,6-diaminohexanoyl)amino]hexanoyl}amino)-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]-beta-D-gulopyranosylamine;beta-D-gulopyranosylamine, 2-[[3-amino-6-[(3,6-diamino-1-oxohexyl)amino]-1-oxohexyl]amino]-2-deoxy-N-[(3aS,7R,7aS)-octahydro-7-hydroxy-4-oxo-2H-imidazo[4,5-c]pyridin-2-ylidene]-, 4-carbamate;Racemomycin C;Streptolin;Yazumycin C;Q27136044;BRN 4286375;Antibiotic S 15-1B;3776-38-3;1366-50-3;CHEBI:67576;[(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-amino-6-[[(3S)-3,6-diaminohexanoyl]amino]hexanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate;CHEMBL1801945;DTXSID70929491;4H-Imidazo(4,5-c)pyridin-4-one, 2-((2-(3-amino-6-(3,6-diaminohexanamido)hexanamido)-2-deoxy-beta-D-gulopyranosyl)amino)-3,3a,5,6,7,7a-hexahydro-7-hydroxy-, 6'-carbamate;Streptothricin E;AKOS040754096;S15-1-B;2-((O-(Aminocarbonyl)-2-((3-amino-6-((3,6-diamino-1-oxohexyl)amino)-1-oxohexyl)amino)-2-deoxy-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-7-hydroxy-4H-imidazo(4,5-c)pyridin-4-one;S 15-1B;2-({3-Amino-6-[(3,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxyhexylidene}amino)-2-deoxy-N-(4,7-dihydroxy-3a,6,7,7a-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-4-O-[hydroxy(imino)methyl]hexopyranosylamine;

标识符

InChIKey:
SCHKAKNJXBPJHD-SNQQVPMJSA-N
Inchi:
1S/C25H46N10O9/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-20(40)21(44-24(29)42)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25/h11-14,17-21,23,36-37,40H,1-10,26-28H2,(H2,29,42)(H,30,38)(H,31,41)(H,32,39)(H2,33,34,35)/t11-,12-,13+,14+,17+,18-,19+,20-,21-,23+/m0/s1
SMILES:
O1[C@H](CO)[C@@H]([C@H]([C@H]([C@@H]1NC1=N[C@@H]2C(NC[C@H]([C@H]2N1)O)=O)NC(C[C@H](CCCNC(C[C@H](CCCN)N)=O)N)=O)O)OC(N)=O

4H-咪唑并[4,5-c]吡啶-4-酮,2-[[4-O-(氨基羰基)-2-[(3S)-3-氨基-6-[(3S)-3,6-二氨基-1-氧代己基]氨基]-1-氧代己基]氨基]-2-脱氧-b-D-吡喃古龙糖基]氨基]-1,3a,5,6,7,7a-六氢-7-羟基-(3aS,7R,7aS)-(3776-38-3)物化性质

实验特性

  • 折射率 : 1.744
  • 密度 : 1.763

计算特性

  • 精确分子量 : 630.345
  • 氢键供体数量 : 12
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 17
  • 同位素质量 : 630.345
  • 重原子数量 : 44
  • 复杂度 : 1040
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 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) : -6.4
  • 拓扑分子极性表面积 : 324A^2

4H-咪唑并[4,5-c]吡啶-4-酮,2-[[4-O-(氨基羰基)-2-[(3S)-3-氨基-6-[(3S)-3,6-二氨基-1-氧代己基]氨基]-1-氧代己基]氨基]-2-脱氧-b-D-吡喃古龙糖基]氨基]-1,3a,5,6,7,7a-六氢-7-羟基-(3aS,7R,7aS)-(3776-38-3)相关文献