HIT ID: HIT212661840
Cas No: 1400634-44-7
分子式: C30H55N9O10
分子量: 701.823
常用名: Acetyl hexapeptide 38
氢键受体数 (HBA): 13
氢键供体数 (HBD): 11
LogP: -5.066463
IUPAC: (2S,3R)-2-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-hydroxypropanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylbutanamido]pentanamido]-3-hydroxybutanoic acid
IUPAC: (2S,3R)-2-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-hydroxypropanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylbutanamido]pentanamido]-3-hydroxybutanoic acid
SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O
SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O
InChI key: BETZBTCJWHBFIG-JAAOUQFMSA-N
