Name: [MePhe8,Sar9] Substance P
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT220912838
Cas No:77128-76-8
常用名:[MePhe8,Sar9] Substance P
IUPAC:(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanoyl]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)(methyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}-2-phenylethyl]carbamoyl}propyl]pentanediamide
IUPAC:(2S)-2-{[(2S)-1-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanoyl]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)(methyl)carbamoyl]-2-phenylethyl](methyl)carbamoyl}-2-phenylethyl]carbamoyl}propyl]pentanediamide
InChI key:InChIKey=OOGDLYNQDCYKAQ-RJEWGMQKSA-N

分子式:C65H102N18O13S
分子量:1375.7
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
SMILES:CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O

[MePhe8,Sar9] Substance P ([MePhe8-MeGly9] Substance P) 为 Substance P 的衍生物，属于在中枢神经系统中起到神经递质及神经调节剂作用的神经肽类。

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