Name: MEN 11270
Rating: 5 (10 reviews)

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HIT ID:HIT218852039
Cas No:235082-52-7
常用名:MEN 11270
IUPAC:(2R)-2-amino-5-carbamimidamido-N-[(2S)-5-carbamimidamido-1-[(2S)-2-[(2S,4R)-2-[({[(1S)-1-{[(1R,4S,9S,11S,14S,19S)-14-(3-carbamimidamidopropyl)-2,12,15,20-tetraoxo-3,13,16,21-tetraazapentacyclo[19.8.0.0^{3,11}.0^{4,9}.0^{23,28}]nonacosa-23(28),24,26-trien-19-yl]carbamoyl}-2-(thiophen-2-yl)ethyl]carbamoyl}methyl)carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]pentanamide
IUPAC:(2R)-2-amino-5-carbamimidamido-N-[(2S)-5-carbamimidamido-1-[(2S)-2-[(2S,4R)-2-[({[(1S)-1-{[(1R,4S,9S,11S,14S,19S)-14-(3-carbamimidamidopropyl)-2,12,15,20-tetraoxo-3,13,16,21-tetraazapentacyclo[19.8.0.0^{3,11}.0^{4,9}.0^{23,28}]nonacosa-23(28),24,26-trien-19-yl]carbamoyl}-2-(thiophen-2-yl)ethyl]carbamoyl}methyl)carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]pentanamide
InChI key:LPLBKEKLEUYDEJ-CQSFJRBESA-N

分子式:C60H90N20O11S
分子量:1299.57
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@]3([H])N(C(=O)[C@@]4([H])Cc5ccccc5CN4C(=O)[C@H](CCNC(=O)[C@H](CCCNC(N)=N)NC3=O)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)[C@@]1([H])CCCC2
SMILES:[H][C@]12C[C@]3([H])N(C(=O)[C@@]4([H])Cc5ccccc5CN4C(=O)[C@H](CCNC(=O)[C@H](CCCNC(N)=N)NC3=O)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)[C@@]1([H])CCCC2

Peptide antagonist of the B2 bradykinin receptor (pKi = 10.3); conformationally constrained cyclized analog of HOE 140. Blocks hypotension and bronchoconstriction in vivo. Displays selectivity for B2 over 29 other receptors and ion channels (pIC50 < 5.5).

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