HIT ID: HIT212661489
Cas No: TP1933
分子式: C59H82F3N13O14
分子量: 1254.377
常用名: R715 TFA(185052-09-9 free base)
氢键受体数 (HBA): 16
氢键供体数 (HBD): 12
LogP: -3.6887746
IUPAC: (2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-acetamidohexanamido]-5-[(diaminomethylidene)amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanamido]-3-(naphthalen-2-yl)propanamido]-3-methylpentanoic acid; trifluoroacetic acid
IUPAC: (2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-acetamidohexanamido]-5-[(diaminomethylidene)amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanamido]-3-(naphthalen-2-yl)propanamido]-3-methylpentanoic acid; trifluoroacetic acid
SMILES: [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O
SMILES: [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O
InChI key: ZFUJDXXJCMFOSK-WBUMRSSGSA-N
