Name: BW-10
Rating: 5 (10 reviews)

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HIT ID:HIT220912922
Cas No:142061-53-8
常用名:BW-10
IUPAC:(2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-carbamoyl-2-phenylethyl]amino}methyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanamido)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-methylbutanamide
IUPAC:(2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-carbamoyl-2-phenylethyl]amino}methyl)pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanamido)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-methylbutanamide
InChI key:InChIKey=XLYQOKWAPHMGLO-XVRZORJCSA-N

分子式:C57H72N14O8
分子量:1081.293
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O

BW-10 potently inhibits bombesin evoked release of gastrointestinal hormones in vitro and in vivo.

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