Name: Guanylin (mouse, rat)
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851631
Cas No:145257-03-0
常用名:Guanylin (mouse, rat)
IUPAC:(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-19-[(2S)-butan-2-yl]-25-[(2S,3R)-2-[(2S)-3-carbamoyl-2-{[(2S)-pyrrolidin-2-yl]formamido}propanamido]-3-hydroxybutanamido]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-10-[(4-hydroxyphenyl)methyl]-4,7,13-trimethyl-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracontane-38-carboxylic acid
IUPAC:(1R,4S,7S,10S,13S,16R,19S,22S,25R,32S,38R)-19-[(2S)-butan-2-yl]-25-[(2S,3R)-2-[(2S)-3-carbamoyl-2-{[(2S)-pyrrolidin-2-yl]formamido}propanamido]-3-hydroxybutanamido]-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-10-[(4-hydroxyphenyl)methyl]-4,7,13-trimethyl-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracontane-38-carboxylic acid
InChI key:VGFLUTOEMABSGC-RAJPIYRYSA-N

分子式:C60H90N16O22S4
分子量:1515.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)O)C(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2
SMILES:[H][C@]12CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3CCCN3)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)CNC(=O)[C@@]([H])(NC1=O)[C@@H](C)O)C(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2

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