HIT ID: HIT212709527
Cas No: 342-10-9
分子式: C56H85N17O12
分子量: 1188.403
常用名: Lys-Bradykinin
氢键受体数 (HBA): 20
氢键供体数 (HBD): 14
LogP: -7.0006256
IUPAC: (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]-5-[(diaminomethylidene)amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-[(diaminomethylidene)amino]pentanoic acid
IUPAC: (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-2,6-diaminohexanamido]-5-[(diaminomethylidene)amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-[(diaminomethylidene)amino]pentanoic acid
SMILES: [H][C@]([#7])([#6]-[#6]-[#6]-[#6]-[#7])[#6](=O)-[#7][C@@]([H])([#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])[#6](=O)-[#7]1-[#6]-[#6]-[#6][C@@]1([H])[#6](=O)-[#7]1-[#6]-[#6]-[#6][C@@]1([H])[#6](=O)-[#7]-[#6]-[#6](=O)-[#7][C@@]([H])([#6]-c1ccccc1)[#6](=O)-[#7][C@@]([H])([#6]-[#8])[#6](=O)-[#7]1-[#6]-[#6]-[#6][C@@]1([H])[#6](=O)-[#7][C@@]([H])([#6]-c1ccccc1)[#6](=O)-[#7][C@@]([H])([#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])[#6](-[#8])=O
SMILES: [H][C@]([#7])([#6]-[#6]-[#6]-[#6]-[#7])[#6](=O)-[#7][C@@]([H])([#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])[#6](=O)-[#7]1-[#6]-[#6]-[#6][C@@]1([H])[#6](=O)-[#7]1-[#6]-[#6]-[#6][C@@]1([H])[#6](=O)-[#7]-[#6]-[#6](=O)-[#7][C@@]([H])([#6]-c1ccccc1)[#6](=O)-[#7][C@@]([H])([#6]-[#8])[#6](=O)-[#7]1-[#6]-[#6]-[#6][C@@]1([H])[#6](=O)-[#7][C@@]([H])([#6]-c1ccccc1)[#6](=O)-[#7][C@@]([H])([#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])[#6](-[#8])=O
InChI key: FYSKZKQBTVLYEQ-FSLKYBNLSA-N
