HIT ID: HIT214324189
Cas No: 945830-38-6
分子式: C48H73N11O17
分子量: 1076.172
常用名: EGFR Protein Tyrosine Kinase Substrate
常用名: EGFR Protein Tyrosine Kinase Substrate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-3-carbamoyl-1-carboxypropyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}butanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
InChI key: LQRUFPWSECMCHG-YBFBXAKBSA-N
