HIT ID: HIT212659294
Cas No: TP1422
分子式: C51H85N13O21
分子量: 1216.311
常用名: Interleukin (IL)-6 Receptor
氢键受体数 (HBA): 22
氢键供体数 (HBD): 18
LogP: -12.200808
IUPAC: (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
IUPAC: (2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-4-carbamoylbutanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
InChI key: KRNQVBYIMBCFNF-PEZSOYKISA-N
