H-PRO-HIS-PRO-PHE-HIS-PHE-PHE-VAL-TYR-LYS-OH

CAS No.
75645-19-1
CCD No.
CCD00081674
Formula
C69 H87 N15 O12
MolWeight
1318.54

Basic Information

Product Name: H-PRO-HIS-PRO-PHE-HIS-PHE-PHE-VAL-TYR-LYS-OH
CAS: 75645-19-1
English Synonyms: RENIN INHIBITOR ; PRO-HIS-PRO-PHE-HIS-PHE-PHE-VAL-TYR-LYS ; [PHE5,6]-OCTAPEPTIDYL-LYSINE ; H-PRO-HIS-PRO-PHE-HIS-PHE-PHE-VAL-TYR-LYS-OH ; P-H-P-F-H-F-F-V-Y-K
MDL Number.: MFCD00167484
H bond acceptor: 27
H bond donor: 14
Smile: CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](Cc5ccccc5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](Cc7c[nH]cn7)NC(=O)[C@@H]8CCCN8
InChi: InChI=1S/C69H87N15O12/c1-42(2)59(67(93)81-54(35-46-25-27-49(85)28-26-46)61(87)76-51(69(95)96)22-12-13-29-70)83-65(91)55(34-45-20-10-5-11-21-45)78-62(88)52(32-43-16-6-3-7-17-43)77-64(90)56(36-47-38-71-40-74-47)79-63(89)53(33-44-18-8-4-9-19-44)80-66(92)58-24-15-31-84(58)68(94)57(37-48-39-72-41-75-48)82-60(86)50-23-14-30-73-50/h3-11,16-21,25-28,38-42,50-59,73,85H,12-15,22-24,29-37,70H2,1-2H3,(H,71,74)(H,72,75)(H,76,87)(H,77,90)(H,78,88)(H,79,89)(H,80,92)(H,81,93)(H,82,86)(H,83,91)(H,95,96)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
InChiKey: InChIKey=AIRMFERKNRDUKD-PVGXKDMPSA-N

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