Name: VAL-201
Rating: 5 (10 reviews)

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HIT ID:HIT212713884
Cas No:957791-38-7
常用名:VAL-201
别名:VAL201, VAL 201
IUPAC:(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
IUPAC:(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
InChI key:OCAUTAUXGFCFEB-MGFBIKGDSA-N

分子式:C55H87N19O11
分子量:1190.423
氢键供体数 (HBD):13
氢键受体数 (HBA):17
LogP:-6.657381
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O

VAL-201, an androgen receptor antagonist, is used potentially for the treatment of prostate cancer.

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