Name: Biotin-Substance P
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321482
Cas No:87468-58-4
常用名:Biotin-Substance P
IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-6-aminohexanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propyl]pentanediamide
IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-6-aminohexanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propyl]pentanediamide
InChI key:VTEGKDUGRAEBSX-UDPLRNBMSA-N

分子式:C73H112N20O15S2
分子量:1573.94
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)[C@@]1([H])NC(=O)N2

Biotin-Substance P 在中枢神经系统中作为神经递质和神经调节剂。神经激肽1受体 (neurokinin 1 receptor，NK1R)是 Biotin-Substance P 的内源性受体。

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