Name: L803-mts
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320662
Cas No:1043881-55-5
常用名:L803-mts
别名:L803-mts
IUPAC:(4S)-4-[(2S)-6-amino-2-(2-tetradecanamidoacetamido)hexanamido]-4-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(phosphonooxy)propan-2-yl]carbamoyl}propyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-6-amino-2-(2-tetradecanamidoacetamido)hexanamido]-4-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(phosphonooxy)propan-2-yl]carbamoyl}propyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid
InChI key:JLHWBVQBEGDSEZ-LFOOZZFTSA-N

分子式:C66H110N15O20P
分子量:1464.665
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](COP(O)(O)=O)C(=O)N1CCC[C@H]1C(N)=O
SMILES:CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](COP(O)(O)=O)C(=O)N1CCC[C@H]1C(N)=O

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