HIT ID: HIT218851950
Cas No: 147529-30-4
分子式: C42H60N14O17
分子量: 1033.023
常用名: β-Amyloid (1-9)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanamido]-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanamido]-4-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
SMILES: C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O
SMILES: C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O
InChI key: BRRKPUCEVBBGNV-WVQSQKPFSA-N
