PL-3994

PL-3994, an exquisitely tailored receptor antagonist exhibiting formidable potency, has been ingeniously formulated to combat the intricacies of heart failure. By establishing an exceptional binding affinity to angiotensin II receptors, this remarkable compound exerts a formidable inhibitory effect on the deleterious consequences instigated by angiotensin II.

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CAT#	R2048
CAS	952295-80-6
Chemical Name	2-[(4R,7S,10S,13S,16S,19R,22S,28R,31S,34S,37S)-31-benzyl-10-[(2S)-butan-2-yl]-19-butyl-13,22-bis(3-carbamimidamidopropyl)-4-[[(2S)-1-[(2S,5R)-2-(3-carbamimidamidopropyl)-5-carbamoyl-3-oxopiperazin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-37-(heptanoylamino)-7-(hydroxymethyl)-34-(1H-imidazol-4-ylmethyl)-28-methyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacont-16-yl]acetic acid
M.F/Formula	C82H127N27O20S2
M.W/Mr.	1875.18

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Storage	Please store the product under the recommended conditions in the Certificate of Analysis.
InChI	InChI=1S/C82H127N27O20S2/c1-6-9-11-15-25-62(112)98-59-41-130-131-42-60(76(126)104-56(34-47-26-28-49(111)29-27-47)79(129)109-39-57(66(83)116)105-77(127)61(109)24-18-32-93-82(88)89)107-74(124)58(40-110)106-78(128)65(44(4)8-3)108-70(120)52(23-17-31-92-81(86)87)100-73(123)55(36-64(114)115)103-69(119)51(21-10-7-2)99-68(118)50(22-16-30-91-80(84)85)97-63(113)38-94-67(117)45(5)96-71(121)53(33-46-19-13-12-14-20-46)101-72(122)54(102-75(59)125)35-48-37-90-43-95-48/h12-14,19-20,26-29,37,43-45,50-61,65,110-111H,6-11,15-18,21-25,30-36,38-42H2,1-5H3,(H2,83,116)(H,90,95)(H,94,117)(H,96,121)(H,97,113)(H,98,112)(H,99,118)(H,100,123)(H,101,122)(H,102,125)(H,103,119)(H,104,126)(H,105,127)(H,106,128)(H,107,124)(H,108,120)(H,114,115)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t44-,45+,50-,51+,52-,53-,54-,55-,56-,57+,58-,59+,60-,61-,65-/m0/s1
InChI Key	HSHVZRILAMZYHY-WXSGKXQHSA-N
Canonical SMILES	CCCCCCC(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC2=CNC=N2)CC3=CC=CC=C3)C)CCCNC(=N)N)CCCC)CC(=O)O)CCCNC(=N)N)C(C)CC)CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)N5CC(NC(=O)C5CCCNC(=N)N)C(=O)N
Isomeric SMILES	CCCCCCC(=O)N[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CNC=N2)CC3=CC=CC=C3)C)CCCNC(=N)N)CCCC)CC(=O)O)CCCNC(=N)N)[C@@H](C)CC)CO)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N5C[C@@H](NC(=O)[C@@H]5CCCNC(=N)N)C(=O)N