HIT218697938 - (4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}butanoic acid, Protein Kinase C Peptide Substrate

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}butanoic acid, Protein Kinase C Peptide Substrate

sdf文件结构编辑类似物检索

HIT ID: HIT218697938

Cas No: 120253-69-2

分子式: C83H155N39O21S

分子量: 2067.47

常用名: (4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}butanoic acid, Protein Kinase C Peptide Substrate

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}butyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}butanoic acid

SMILES: CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(O)=O

InChI key: RLQBYTJEMHGNOD-AYIPUXMXSA-N