Name: Periplanetasin-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT220773690
Cas No:
常用名:Periplanetasin-2
IUPAC:(2S)-N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-[({[(1S)-5-amino-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]hexanamido]-4-methylpentanamido]butanediamide
IUPAC:(2S)-N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-[({[(1S)-5-amino-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]hexanamido]-4-methylpentanamido]butanediamide
InChI key:InChIKey=FKORDZABCGKKSX-IVIQMLJMSA-N

分子式:C84H134N22O17S
分子量:1756.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O

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