(5S,6R,9R,12R,13R,16S,Z)-2-Ethylidene-9-(3-guanidinopropyl)-12-((1E,3E,5R,6R)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid

Catalog No. :
ACOTXC434
CAS No. :
118399-22-7
Molecular Formula :
C41H60N8O10
Molecular Weight :
824.98

IUPAC Name:(5S,6R,9R,12R,13R,16S,Z)-2-ethylidene-9-(3-guanidinopropyl)-12-((1E,3E,5R,6R)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid

(5S,6R,9R,12R,13R,16S,Z)-2-Ethylidene-9-(3-guanidinopropyl)-12-((1E,3E,5R,6R)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid structure diagram
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Product Information

Product Name(5S,6R,9R,12R,13R,16S,Z)-2-Ethylidene-9-(3-guanidinopropyl)-12-((1E,3E,5R,6R)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid
IUPAC Name(5S,6R,9R,12R,13R,16S,Z)-2-ethylidene-9-(3-guanidinopropyl)-12-((1E,3E,5R,6R)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid
Molecular FormulaC41H60N8O10
Molecular Weight824.98
SMILESC/C=C1/C(=O)N[C@H](C(=O)O)[C@@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](/C=C/C(C)=C/[C@@H](C)[C@@H](CC2=CC=CC=C2)OC)[C@@H](C)C(=O)N[C@H](C(=O)O)CCC(=O)N1C
InChI KeyIXBQSRWSVIBXNC-RLYCYGFOSA-N
Synonymtyl-l-arginyl-(2s,3s,4e,6e,8s,9s)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimeth;yl-10-phenyl-3-aminodecanoyl-d-gamma-glutamyl);NODULARIN;1,4,8,11,15-PENTAAZACYCLONONADECANE, CYCLIC PEPTIDE DERIVATIVE;Nodularin, Nodularia spumigena;1,4,8,11,15-Pentaazacyclononadecane, cyclic peptide;Cyclo((Z)-2,3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-D-gamma-glutamyl);Cyclo(L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-gamma-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-D-beta-aspartyl)
CAS No.118399-22-7

Synthetic Route by SureRoute

1. ACOTXC434 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACOTXC434 route product structure diagram
    ACOTXC434118399-22-7
Inquiry

2. ACOTXC434 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACOTXC434 route product structure diagram
    ACOTXC434118399-22-7
Inquiry

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