Name: Locustatachykinin I
Rating: 5 (10 reviews)

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HIT ID:HIT212709122
Cas No:126985-97-5
常用名:Locustatachykinin I
IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylbutanamido]-5-[(diaminomethylidene)amino]pentanamide
IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylbutanamido]-5-[(diaminomethylidene)amino]pentanamide
InChI key:QVHUTTNZGVKOKQ-LINCNNNZSA-N

分子式:C43H63N13O11
分子量:938.057
氢键供体数 (HBD):13
氢键受体数 (HBA):15
LogP:-5.7185264
SMILES:[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
SMILES:[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O

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