Name: H 77
Rating: 5 (10 reviews)

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HIT ID:HIT212711138
Cas No:82131-82-6
常用名:H 77
别名:H-77, H77
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentyl]amino}-4-methylpentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentyl]amino}-4-methylpentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
InChI key:ABDWINSTWUZFIV-RLWIUDPYSA-N

分子式:C52H74N12O9
分子量:1011.239
氢键供体数 (HBD):11
氢键受体数 (HBA):13
LogP:-0.47763008
SMILES:CC(C)C[C@@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1c[nH]cn1
SMILES:CC(C)C[C@@H](CN[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1c[nH]cn1

H 77 is a new effective renin inhibitor. H 77 is angiotensinogen (6-13)-octapeptide in which the peptide bond -CO-NH- at the Leu(9)-Leu(11) linkage is replaced by a -CH2-NH- bond.

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