Nocistatin(human)
HIT214316726
sdf文件结构编辑类似物检索
HIT ID: HIT214316726
Cas No: 212609-11-5
分子式: C149H238N42O53S3
分子量: 3561.96
常用名: Nocistatin(human)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-5-[(2S)-2-{[(2S)-1-[(2S)-2-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}propyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]carbamoyl}pyrrolidin-1-yl]-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-5-oxopentanoic acid
IUPAC: (4S)-5-[(2S)-2-{[(2S)-1-[(2S)-2-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}propyl]carbamoyl}pentyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-carboxypropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]carbamoyl}pyrrolidin-1-yl]-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-phenylpropanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-5-oxopentanoic acid
SMILES: CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |@@:28|
SMILES: CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |@@:28|
InChI key: OEZVAQPRAUPWHZ-FBGOCWIPSA-N
共显示1个结果
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TargetMol
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