HIT ID: HIT212659346
Cas No: TP1453;2703746-44-3
分子式: C36H63F3N10O11
分子量: 868.954
常用名: Tau protein (592-597), Human TFA
常用名: Tau protein (592-597), Human TFA
氢键受体数 (HBA): 10
氢键供体数 (HBD): 10
LogP: -3.4385278
IUPAC: (2S)-N-[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]-2-[(2S)-2-acetamido-3-methylbutanamido]pentanediamide; trifluoroacetic acid
IUPAC: (2S)-N-[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]-2-[(2S)-2-acetamido-3-methylbutanamido]pentanediamide; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
SMILES: OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
InChI key: GEJJGOFDFAIREE-MWZIDKMGSA-N
