HIT ID: HIT213840569
Cas No: T21608L;2763583-73-7
分子式: C41H68N12O21
分子量: 1065.058
常用名: β-Interleukin I (163-171), human Acetate
常用名: β-Interleukin I (163-171), human Acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carbamoylbutanamido]acetamido}-4-carboxybutanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]hexanoic acid; acetic acid
IUPAC: (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-carbamoylbutanamido]acetamido}-4-carboxybutanamido]-4-carboxybutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]hexanoic acid; acetic acid
SMILES: CC(O)=O.CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC(O)=O.CC(C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: DTCFTOABVVOEDQ-SJJQUBFMSA-N
