HIT ID: HIT214320662
Cas No: 1043881-55-5
分子式: C66H110N15O20P
分子量: 1464.665
常用名: L803-mts
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-6-amino-2-(2-tetradecanamidoacetamido)hexanamido]-4-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(phosphonooxy)propan-2-yl]carbamoyl}propyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-6-amino-2-(2-tetradecanamidoacetamido)hexanamido]-4-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(phosphonooxy)propan-2-yl]carbamoyl}propyl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid
SMILES: CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](COP(O)(O)=O)C(=O)N1CCC[C@H]1C(N)=O
SMILES: CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](COP(O)(O)=O)C(=O)N1CCC[C@H]1C(N)=O
InChI key: JLHWBVQBEGDSEZ-LFOOZZFTSA-N
