Name: Leucinostatin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318081
Cas No:76663-52-0
常用名:Leucinostatin B
别名:Paecilotoxin B
IUPAC:(2S,4S,6S)-6-hydroxy-N-[(1S,2R)-2-hydroxy-3-methyl-1-[(1-methyl-1-{[(1S)-3-methyl-1-{[(1S)-3-methyl-1-{[1-methyl-1-({1-methyl-1-[(2-{[(2S)-1-(methylamino)propan-2-yl]carbamoyl}ethyl)carbamoyl]ethyl}carbamoyl)ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}ethyl)carbamoyl]butyl]-4-methyl-2-{[(2S,4S)-4-methyl-1-[(2E,4S)-4-methylhex-2-enoyl]pyrrolidin-2-yl]formamido}-8-oxodecanamide
IUPAC:(2S,4S,6S)-6-hydroxy-N-[(1S,2R)-2-hydroxy-3-methyl-1-[(1-methyl-1-{[(1S)-3-methyl-1-{[(1S)-3-methyl-1-{[1-methyl-1-({1-methyl-1-[(2-{[(2S)-1-(methylamino)propan-2-yl]carbamoyl}ethyl)carbamoyl]ethyl}carbamoyl)ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}ethyl)carbamoyl]butyl]-4-methyl-2-{[(2S,4S)-4-methyl-1-[(2E,4S)-4-methylhex-2-enoyl]pyrrolidin-2-yl]formamido}-8-oxodecanamide
InChI key:JLDCSWRYRVBFRU-OJNRIBPVSA-N

分子式:C61H109N11O13
分子量:1204.607
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)\C=C\C(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CNC
SMILES:CC[C@H](C)\C=C\C(=O)N1C[C@@H](C)C[C@H]1C(=O)N[C@@H](C[C@H](C)C[C@H](O)CC(=O)CC)C(=O)N[C@@H]([C@H](O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CNC

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