N-((6S)-1-Amino-6-(((2S)-1-(((6'S,9'S,25'S,30a'S)-6'-(3,5-difluorobenzyl)-25'-(3-guanidinopropyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-5'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosin]-9'-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-1-imino-8-oxo-10,13,16-trioxa-2,7-diazaoctadecan-18-yl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide

Catalog No. :
ACISLA612
CAS No. :
1421029-73-3
Molecular Formula :
C86H107F2N17O18
Molecular Weight :
1704.90

IUPAC Name:N-((6S)-1-amino-6-(((2S)-1-(((6'S,9'S,25'S,30a'S)-6'-(3,5-difluorobenzyl)-25'-(3-guanidinopropyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-5'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosin]-9'-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-1-imino-8-oxo-10,13,16-trioxa-2,7-diazaoctadecan-18-yl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide

N-((6S)-1-Amino-6-(((2S)-1-(((6'S,9'S,25'S,30a'S)-6'-(3,5-difluorobenzyl)-25'-(3-guanidinopropyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-5'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosin]-9'-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-1-imino-8-oxo-10,13,16-trioxa-2,7-diazaoctadecan-18-yl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide structure diagram
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Product Information

Product NameN-((6S)-1-Amino-6-(((2S)-1-(((6'S,9'S,25'S,30a'S)-6'-(3,5-difluorobenzyl)-25'-(3-guanidinopropyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-5'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosin]-9'-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-1-imino-8-oxo-10,13,16-trioxa-2,7-diazaoctadecan-18-yl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide
IUPAC NameN-((6S)-1-amino-6-(((2S)-1-(((6'S,9'S,25'S,30a'S)-6'-(3,5-difluorobenzyl)-25'-(3-guanidinopropyl)-5',8',19',24',27',30'-hexaoxooctacosahydro-5'H-spiro[cyclobutane-1,28'-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohexacosin]-9'-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-1-imino-8-oxo-10,13,16-trioxa-2,7-diazaoctadecan-18-yl)-3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxamide
Molecular FormulaC86H107F2N17O18
Molecular Weight1704.90
SMILESO=C1OC2(C=3C1=CC(C(NCCOCCOCCOCC(N[C@H](C(N[C@@H](CC=4C=5C(NC4)=CC=CC5)C(N[C@@H]6C(=O)N[C@@H](CC7=CC(F)=CC(F)=C7)C(=O)N8[C@](C(=O)NC9(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N%10C(C(=O)NCCCCCCCC6)(CCC%10)[H])CCC9)(CCC8)[H])=O)=O)CCCNC(=N)N)=O)=O)=CC3)C=%11C(OC=%12C2=CC=C(O)C%12)=CC(O)=CC%11
InChI KeyZGWJMUBRAPDLPJ-VGQFLZJUSA-N
SynonymL-Proline, N2-[13-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-1,13-dioxo-3,6,9-trioxa-12-azatridec-1-yl]-L-arginyl-L-tryptophyl-(2S)-2,10-diaminodecanoyl-3,5-difluoro-L-phenylalanyl-L-prolyl-1-aminocyclobutanecarbonyl-L-arginyl-, (8→3)-lactam
CAS No.1421029-73-3

Synthetic Route by SureRoute

1. ACISLA612 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACISLA612 route product structure diagram
    ACISLA6121421029-73-3
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2. ACISLA612 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACNYFA089 route compound structure diagram
    ACNYFA08976823-03-5 In Stock
  4. Then
  5. ACISLA612 route product structure diagram
    ACISLA6121421029-73-3
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