Defensin HNP-3 human
HIT218851582
sdf文件结构编辑类似物检索
HIT ID: HIT218851582
Cas No: 136661-76-2
分子式: C151H222N44O40S6
分子量: 3486.07
常用名: Defensin HNP-3 human
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4S,7S,13S,16S,19R,22S,25S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[(2S)-2-amino-3-carboxypropanamido]-76-benzyl-7,22,52-tris[(2S)-butan-2-yl]-4,34,37,64-tetrakis(3-carbamimidamidopropyl)-58-(2-carbamoylethyl)-31-(2-carboxyethyl)-46-[(1R)-1-hydroxyethyl]-40,55,90-tris[(4-hydroxyphenyl)methyl]-70-[(1H-indol-3-yl)methyl]-16,25,73-trimethyl-67-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-84,85,94,95,98,99-hexathia-3,6,9,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosaazatetracyclo[47.43.4.4^{19,79}.0^{9,13}]100ne-82-carboxylic acid
IUPAC: (1R,4S,7S,13S,16S,19R,22S,25S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[(2S)-2-amino-3-carboxypropanamido]-76-benzyl-7,22,52-tris[(2S)-butan-2-yl]-4,34,37,64-tetrakis(3-carbamimidamidopropyl)-58-(2-carbamoylethyl)-31-(2-carboxyethyl)-46-[(1R)-1-hydroxyethyl]-40,55,90-tris[(4-hydroxyphenyl)methyl]-70-[(1H-indol-3-yl)methyl]-16,25,73-trimethyl-67-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-84,85,94,95,98,99-hexathia-3,6,9,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosaazatetracyclo[47.43.4.4^{19,79}.0^{9,13}]100ne-82-carboxylic acid
SMILES: [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)C(O)=O)NC(=O)[C@H](C)NC2=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC
SMILES: [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(CSSC[C@]([H])(NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@]([H])(NC3=O)[C@@H](C)CC)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)C(O)=O)NC(=O)[C@H](C)NC2=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC
InChI key: GLCFDMVVSSMZRL-BRKZGERCSA-N
共显示1个结果
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