Name: RS 15378
Rating: 5 (10 reviews)

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HIT ID:HIT212711623
Cas No:123219-97-6
常用名:RS 15378
别名:RS-15378, RS15378
IUPAC:(2S)-N-[(2S)-6-{[bis(ethylamino)methylidene]amino}-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-1-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-4-methylpentanamide
IUPAC:(2S)-N-[(2S)-6-{[bis(ethylamino)methylidene]amino}-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-1-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-4-methylpentanamide
InChI key:HCYKQGRMGPDPKT-PBJAEKMJSA-N

分子式:C77H99ClN16O13
分子量:1492.19
氢键供体数 (HBD):14
氢键受体数 (HBA):18
LogP:1.4895692
SMILES:[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#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]-c1cccc2ccccc12)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O
SMILES:[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1cccnc1)-[#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]-c1cccc2ccccc12)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6])-[#6](-[#7])=O

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