4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate

Catalog No. :
ACBDRW042
CAS No. :
3104005-44-6
Molecular Formula :
C165H244FN25O47S2
Molecular Weight :
3413.03

IUPAC Name:4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate

4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate structure diagram
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Product Information

Product Name4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
IUPAC Name4-((2S)-2-((2S)-2-(6-(3-((3-(((3R,4R,5S,6R)-2-((26-((S)-10-benzyl-1-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-27-oxo-2,5,8,11,14,17,20,23-octaoxa-29-thia-26-azadotriacontan-32-yl)oxy)-3-(4-(24-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3,19-dioxo-6,9,12,15-tetraoxa-2,18-diazatetracosyl)-1H-1,2,3-triazol-1-yl)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propyl)thio)-2,5-dioxopyrrolidin-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate
Molecular FormulaC165H244FN25O47S2
Molecular Weight3413.03
SMILESO=C(N(C(C1)=O)CCCCCC(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC2=CC=C(C=C2)COC(N(C)[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H]([C@@H](C)CC)[C@H](OC)CC(N3[C@](CCC3)([H])[C@H](OC)[C@@H](C)C(N[C@H](C)[C@H](C4=CC=CC=C4)O)=O)=O)=O)=O)=O)=O)=O)=O)C1SCCCO[C@@H]([C@@H]([C@H](O5)CO)O)[C@@H](N6C=C(N=N6)CNC(CCOCCOCCOCCOCCNC(CCCCCN7C(C=CC7=O)=O)=O)=O)C5OCCCSCC(N(CCOCCOCCOCCOCCOCCOCCOCCOC)CC(NCC(N[C@@H](CC8=CC=CC=C8)C(NCC(NCOCC(N[C@@H]9C%10=C%11C(C(N%12C%11)=CC([C@](O)(C(OC%13)=O)CC)=C%13C%12=O)=NC%14=CC(F)=C(C)C(CC9)=C%14%10)=O)=O)=O)=O)=O)=O
InChI KeyNZHKTIJRORZGIK-QAACEVKYSA-N
CAS No.3104005-44-6

Synthetic Route by SureRoute

1. ACBDRW042 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. ACBDRW042 route product structure diagram
    ACBDRW0423104005-44-6
Inquiry

2. ACBDRW042 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. ACBDRW042 route product structure diagram
    ACBDRW0423104005-44-6
Inquiry

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