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Substance Name: Cgp 29287
RN: 93287-54-8
InChIKey: DLAHCJHYEAZDLE-VRYQDWSQSA-N

Note

  • See also record for renin inhibitory peptide, statine.

Molecular Formula

  • C72-H110-N20-O15

Molecular Weight

  • 1495.79
 
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Names and Synonyms

Name of Substance

  • Cgp 29287

Synonym

  • Cgp-29,287

Systematic Name

  • L-Lysine, N6-((1,1-dimethylethoxy)carbonyl)-N2-(N-(N-(3-hydroxy-6-methyl-1-oxo-4-((N-(N-(1-(N2-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-L-arginyl)-L-prolyl)-L-phenylalanyl)-L-histidyl)amino)heptyl)-L-isoleucyl)-L-histidyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 93287-54-8

System Generated Number

  • 0093287548

Structure Descriptors

InChI

1S/C72H110N20O15/c1-9-44(4)59(65(100)89-55(36-48-39-78-42-83-48)62(97)85-51(67(102)105-8)25-16-17-29-81-70(103)107-72(5,6)7)91-58(94)37-57(93)52(33-43(2)3)86-63(98)54(35-47-38-77-41-82-47)87-61(96)53(34-45-21-12-10-13-22-45)88-64(99)56-28-20-32-92(56)66(101)50(27-19-31-80-69(75)76)84-60(95)49(26-18-30-79-68(73)74)90-71(104)106-40-46-23-14-11-15-24-46/h10-15,21-24,38-39,41-44,49-57,59,93H,9,16-20,25-37,40H2,1-8H3,(H,77,82)(H,78,83)(H,81,103)(H,84,95)(H,85,97)(H,86,98)(H,87,96)(H,88,99)(H,89,100)(H,90,104)(H,91,94)(H4,73,74,79)(H4,75,76,80)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-/m0/s1

InChIKey

DLAHCJHYEAZDLE-VRYQDWSQSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC(C[C@@H]([C@H](CC(C)C)NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC(=O)OCc1ccccc1)CCCNC(=N)N)=O)CCCNC(=N)N)=O)=O)Cc1ccccc1)=O)Cc1c[nH]cn1)=O)O)=O)[C@H](CC)C)=O)Cc1c[nH]cn1)=O)CCCCNC(=O)OC(C)(C)C)(=O)OC