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- chem960
- 1391-36-2
- Lancovutide
- Duramycin
- Ancovenin,2-L-lysine-6-(3-aminoalanine)-10-L-phenylalanine-12-L-phenylalanine-13-L-valine-15-(erythro-3-hydroxy-L-aspartic acid)-,cyclic 6-19)-imine
- Lancovutide [INN]
- Leucopeptin
- UNII-BPR0F3X56H
- antibioticpa48009
- duramycin from streptoverticillium*ci·Namoneus
- duramycin from streptoverticillium*cinnamoneus
- 2-l-lysine-6-(3-aminoalanine)-10-l-phenylalanine-12-l-phenylalanine-ancoveni
- cyclic6-19)-imine
- 1391-36-2
- CHEBI:219659
- PA48009
- DURAMYCIN
- lancovutide
- leucopeptin
- InChIKey：SFWLDKQAUHFCBS-WWXQEMPQSA-N
- Inchi：2
- SMILES：NCCCC[C@@H]1NC(=O)[C@@H](N)CSC(C)[C@@H]2C(N[C@H](C(=O)O)CCCCNC[C@H]3C(N[C@H](C(NCC(N4CCC[C@H]4C(N[C@H](C(N[C@H]4C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N2)=O)CC(=O)N)=O)=O)[C@H](C(=O)O)O)=O)CSC[C@H](C(N[C@@H](CS[C@H]4C)C(N3)=O)=O)NC(=O)[C@H](CCC(=O)N)NC1=O)=O)C(C)C)=O)CC1=CC=CC=C1)=O)=O)CC1=CC=CC=C1)=O)=O)=O)CC1=CC=CC=C1)=O)=O
Computed Properties
- 精确分子量: 1997.82000
- 氢键供体数量: 25
- 氢键受体数量: 31
- 可旋转化学键数量: 25
- 同位素质量: 1997.8222600g/mol
- 重原子数量: 140
- 复杂度: 4340
- 同位素原子数量: 0
- 确定原子立构中心数量: 16
- 不确定原子立构中心数量: 3
- 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）: -9.2
- 互变异构体数量: 1001
- 表面电荷: 0
- 拓扑分子极性表面积: 836Ų
Experimental Properties
- LogP: -0.94690
- PSA: 835.99000
- 折射率: 1.6680 (estimate)
- 熔点: 271-273 ºC
- 溶解度: 0.1 M HCl: soluble10mg/mL
- 密度: 1.0238 (rough estimate)
- RTECS号：BV7100000
-
Cinnamycin (9CI) CAS No.: 110655-58-8
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