Name: MBP (83-99)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584696
Cas No:
常用名:MBP (83-99)
IUPAC:(2S)-1-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]hexanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-methylbutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
IUPAC:(2S)-1-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylbutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]hexanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-methylbutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid
InChI key:NHBKOGASLFQQHS-NIURNJHWSA-N

分子式:C93H143N25O24
分子量:1995.318
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O

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