Name: PM 02734
Rating: 5 (10 reviews)

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HIT ID:HIT214317928
Cas No:915713-02-9
常用名:PM 02734
别名:PM-02734, PM02734, Elisidepsin
IUPAC:(4S)-N-[(1R)-1-{[(1S,2R)-1-{[(1S)-1-{[(2R)-1-[(2R)-2-{[(1S)-4-amino-1-{[(1R,2S)-1-{[(3S,6Z,9S,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-bis(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]-4-methylhexanamide; trifluoroacetic acid
IUPAC:(4S)-N-[(1R)-1-{[(1S,2R)-1-{[(1S)-1-{[(2R)-1-[(2R)-2-{[(1S)-4-amino-1-{[(1R,2S)-1-{[(3S,6Z,9S,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-bis(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-2-methylbutyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]-4-methylhexanamide; trifluoroacetic acid
InChI key:FUDHRLIJYPGBOX-MTAFAVTNSA-N

分子式:C77H125F3N14O18
分子量:1591.922
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.[H][C@@]1(NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC1=O)C(C)C)=C\C)C(C)C)[C@@H](C)CC |@:66,101,@@:57,63|
SMILES:OC(=O)C(F)(F)F.[H][C@@]1(NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC1=O)C(C)C)=C\C)C(C)C)[C@@H](C)CC |@:66,101,@@:57,63|

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