2,5-Dioxopyrrolidin-1-yl 5-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-oxopentanoate

Catalog No. :
ACPAIN461
CAS No. :
1895916-24-1
Molecular Formula :
C67H103N11O17
Molecular Weight :
1334.62

IUPAC Name:2,5-dioxopyrrolidin-1-yl 5-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-oxopentanoate

2,5-Dioxopyrrolidin-1-yl 5-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-oxopentanoate structure diagram
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Product Information

Product Name2,5-Dioxopyrrolidin-1-yl 5-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-oxopentanoate
IUPAC Name2,5-dioxopyrrolidin-1-yl 5-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-oxopentanoate
MDL No.MFCD34470253
Molecular FormulaC67H103N11O17
Molecular Weight1334.62
SMILESO[C@@H](C1=CC=CC=C1)[C@@H](C)NC([C@H](C)[C@H]([C@@]2([H])N(CCC2)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C)C(OCC3=CC=C(C=C3)NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)NC(CCCC(ON4C(CCC4=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)OC)=O
InChI KeyQULAXLHJSKOZMO-FBMBWUFNSA-N
SynonymSuO-Glu-Val-Cit-PAB-MMAE;2,5-Dioxopyrrolidin-1-yl 5-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-5-oxopentanoate
CAS No.1895916-24-1

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACPAIN461 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACRTWK915 route compound structure diagram
    ACRTWK9151895916-23-0 In Stock
  2. Plus
  3. ACPOQL635 route compound structure diagram
    ACPOQL6356066-82-6 In Stock
  4. Then
  5. ACPAIN461 route product structure diagram
    ACPAIN4611895916-24-1
Inquiry

2. ACPAIN461 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. ACPAIN461 route product structure diagram
    ACPAIN4611895916-24-1
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