HIT ID: HIT212710705
Cas No: 127634-29-1
分子式: C37H60N8O10
分子量: 776.933
常用名: beta-Neuroprotectin
氢键受体数 (HBA): 11
氢键供体数 (HBD): 10
LogP: -2.316699
IUPAC: (3S)-3-[(2R)-2-aminopropanamido]-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
IUPAC: (3S)-3-[(2R)-2-aminopropanamido]-3-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O
InChI key: OOPCKMOYWNFHCN-ZVTNDOQBSA-N
