Name: SALMF amide 2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584614
Cas No:
常用名:SALMF amide 2
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-amino-3-hydroxypropanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-N-[(1S)-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]butanediamide
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-amino-3-hydroxypropanamido]acetyl}pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-N-[(1S)-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]butanediamide
InChI key:ULORYJBIPHKGST-MMPVZCTRSA-N

分子式:C59H82N14O18
分子量:1275.385
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

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