Uroguanylin-15 (Rat)
HIT217584568
sdf文件结构编辑类似物检索
HIT ID: HIT217584568
Cas No: T80890
分子式: C60H96N16O25S4
分子量: 1569.76
常用名: Uroguanylin-15 (Rat)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4S,10S,13S,16R,19S,22S,25R,32S,38R)-25-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-4-carboxybutanamido]-13-[(2S)-butan-2-yl]-10-(carbamoylmethyl)-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-7-(propan-2-yl)-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,10S,13S,16R,19S,22S,25R,32S,38R)-25-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-4-carboxybutanamido]-13-[(2S)-butan-2-yl]-10-(carbamoylmethyl)-22-(2-carboxyethyl)-32-[(1R)-1-hydroxyethyl]-4-methyl-19-(2-methylpropyl)-3,6,9,12,15,18,21,24,30,33,36-undecaoxo-7-(propan-2-yl)-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetracontane-38-carboxylic acid
SMILES: [H][C@]12CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)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@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C(C)C)C(=O)N[C@@H](C)C(=O)N2
SMILES: [H][C@]12CSSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)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@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C(C)C)C(=O)N[C@@H](C)C(=O)N2
InChI key: MTYHWKJCMMEKJX-DMHVAJGLSA-N
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