Name: Ganirelix Acetate
Rating: 5 (10 reviews)

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HIT ID:HIT213840172
Cas No:123246-29-7;124904-93-4
常用名:Ganirelix Acetate
别名:醋酸加尼瑞克
IUPAC:(2R)-6-{[bis(ethylamino)methylidene]amino}-N-[(1S)-1-{[(2S)-6-{[bis(ethylamino)methylidene]amino}-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamide; acetic acid
IUPAC:(2R)-6-{[bis(ethylamino)methylidene]amino}-N-[(1S)-1-{[(2S)-6-{[bis(ethylamino)methylidene]amino}-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamide; acetic acid
InChI key:BNXQPWOTZJCGRG-FEGBTNLQSA-N

分子式:C82H117ClN18O15
分子量:1630.4
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]-[#6](-[#8])=O.[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6]-[#6])-[#7]-[#6]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O
SMILES:[#6]-[#6](-[#8])=O.[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(Cl)cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc2ccccc2c1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6]-[#6])-[#7]-[#6]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O

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