Name: MANS peptide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848445
Cas No:479482-23-0
常用名:MANS peptide
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-tetradecanamidoacetamido)propanamido]butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]hexanamido]acetamido}-4-carboxybutanamido]propanamido]propanamido]propanamido]-4-{[(2S)-5-carbamimidamido-1-[(2S)-2-[({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-tetradecanamidoacetamido)propanamido]butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]hexanamido]acetamido}-4-carboxybutanamido]propanamido]propanamido]propanamido]-4-{[(2S)-5-carbamimidamido-1-[(2S)-2-[({[(1S)-3-carboxy-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}butanoic acid
InChI key:NVTNUNFDWBTVCI-JYGJHPPYSA-N

分子式:C111H184N30O35
分子量:2498.868
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O
SMILES:CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O

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