Sunflower trypsin inhibitor 1

Catalog No. :
ACPIHL754
CAS No. :
245080-24-4
Molecular Formula :
C67H104N18O18S2
Molecular Weight :
1513.81

IUPAC Name:2-((6S,9S,12S,15S,18R,21S,27S,29aS,35S,38R,41S,43aS,48aS)-12-(4-aminobutyl)-35-benzyl-6,41-di((S)-sec-butyl)-21-(3-guanidinopropyl)-15-((R)-1-hydroxyethyl)-9-(hydroxymethyl)-5,8,11,14,17,20,23,26,29,34,37,40,43,48-tetradecaoxohexatetracontahydro-1H,5H-18,38-(methanodithiomethano)tripyrrolo[1,2-a:1',2'-b1:1'',2''-e1][1,4,7,10,13,16,19,22,25,28,31,34,37,40]tetradecaazacyclodotetracontin-27-yl)acetic acid

Sunflower trypsin inhibitor 1 structure diagram
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Product Information

Product NameSunflower trypsin inhibitor 1
IUPAC Name2-((6S,9S,12S,15S,18R,21S,27S,29aS,35S,38R,41S,43aS,48aS)-12-(4-aminobutyl)-35-benzyl-6,41-di((S)-sec-butyl)-21-(3-guanidinopropyl)-15-((R)-1-hydroxyethyl)-9-(hydroxymethyl)-5,8,11,14,17,20,23,26,29,34,37,40,43,48-tetradecaoxohexatetracontahydro-1H,5H-18,38-(methanodithiomethano)tripyrrolo[1,2-a:1',2'-b1:1'',2''-e1][1,4,7,10,13,16,19,22,25,28,31,34,37,40]tetradecaazacyclodotetracontin-27-yl)acetic acid
Molecular FormulaC67H104N18O18S2
Molecular Weight1513.81
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
InChI KeyQQBRBPSSMDPLLA-GECFALDLSA-N
Synonym2-((6S,15S,18S,27S,35S,38S,41S,43aS,48aS)-12-(4-aminobutyl)-35-benzyl-6,41-di((S)-sec-butyl)-21-(3-guanidinopropyl)-15-((R)-1-hydroxyethyl)-9-(hydroxymethyl)-5,8,11,14,17,20,23,26,29,34,37,40,43,48-tetradecaoxohexatetracontahydro-1H,5H-18,38-(methanodithiomethano)tripyrrolo[1,2-a:1',2'-b1:1'',2''-e1][1,4,7,10,13,16,19,22,25,28,31,34,37,40]tetradecaazacyclodotetracontin-27-yl)acetic acid;2-((6S,15S,18S,27S,35S,38S,41S,43aS,48aS)-12-(4-aminobutyl)-35-benzyl-6,41-di((S)-sec-butyl)-21-(3-guanidinopropyl)-15-((R)-1-hydroxyethyl)-9-(hydroxymethyl)-5,8,11,14,17,20,23,26,29,34,37,40,43,48-tetradecaoxohexatetracontahydro-1H,5H-18,38-(methanodithi;Cyclo(L-arginyl-L-cysteinyl-L-threonyl-L-lysyl-L-seryl-L-isoleucyl-L-prolyl-L-prolyl-L-isoleucyl-L-cysteinyl-L-phenylalanyl-L-prolyl-L-α-aspartylglycyl), cyclic (2→10)-disulfide;SFTI-1;Sunflower trypsin inhibitor 1
CAS No.245080-24-4

Synthetic Route by SureRoute

1. ACPIHL754 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACPIHL754 route product structure diagram
    ACPIHL754245080-24-4
Inquiry

2. ACPIHL754 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACPIHL754 route product structure diagram
    ACPIHL754245080-24-4
Inquiry

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