Name: LRGILS-NH2
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212709126
Cas No:245329-01-5
常用名:LRGILS-NH2
IUPAC:(Z,2R,3R)-2-[(Z)-{2-[(Z)-[(2S)-2-[(Z)-[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyethylidene}amino]-N-[(1S)-1-[(Z)-[(1S)-2-hydroxy-1-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl]-3-methylbutyl]-3-methylpentanimidic acid
IUPAC:(Z,2R,3R)-2-[(Z)-{2-[(Z)-[(2S)-2-[(Z)-[(2S)-2-amino-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxyethylidene}amino]-N-[(1S)-1-[(Z)-[(1S)-2-hydroxy-1-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl]-3-methylbutyl]-3-methylpentanimidic acid
InChI key:HCUFWKYFOMBFPA-JYAZKYGWSA-N

分子式:C29H56N10O7
分子量:656.83
氢键供体数 (HBD):12
氢键受体数 (HBA):17
LogP:-2.358422
SMILES:[H][C@](N)(CC(C)C)C(\O)=N\[C@@]([H])(CCCNC(N)=N)C(\O)=N\C\C(O)=N\[C@]([H])(C(\O)=N\[C@@]([H])(CC(C)C)C(\O)=N\[C@@]([H])(CO)C(O)=N)[C@@]([H])(C)CC
SMILES:[H][C@](N)(CC(C)C)C(\O)=N\[C@@]([H])(CCCNC(N)=N)C(\O)=N\C\C(O)=N\[C@]([H])(C(\O)=N\[C@@]([H])(CC(C)C)C(\O)=N\[C@@]([H])(CO)C(O)=N)[C@@]([H])(C)CC

LRGILS-NH2 is a reversed amino acid sequence control peptide for SLIGRL-NH2, a protease-activated receptor-2 (PAR2) agonist that facilitates gastrointestinal transit in vivo.

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