Name: Caerulein, desulfated ammonium
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218849328
Cas No:
常用名:Caerulein, desulfated ammonium
别名:Caerulein, desulfated ammonium(20994-83-6 free base)
别名:Caerulein, desulfated ammonium(20994-83-6 free base)
IUPAC:ammonium (3S)-3-{[(1S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]propanoate
IUPAC:ammonium (3S)-3-{[(1S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-[(2S)-4-carbamoyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]propanoate
InChI key:MCEWYJWLIVVNSJ-CBCFNHQSSA-N

分子式:C58H76N14O18S
分子量:1289.39
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[NH4+].CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:[NH4+].CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

Caerulein, desulfated ammonium 是 Caerulein 水解后形成的脱硫 Caerulein，是一种神经肽，具有较低的平滑肌活性，可刺激脂肪酶分泌，抑制胃酸分泌。

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