N1-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-N3-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

Compound number:
MolPort-042-665-642
CAS number: 797035-11-1
IUPAC:
N1-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-N3-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
IUPAC traditional:
N1-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-N3-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
SMILES:
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
InChI key:
VPNIQGRFZCTBEZ-SPTGULJVSA-N
Molecular formula:
C31H38N4O5S
Molecular weight: 578.73
Solubility: not available

Marketplace Offers

S&H to USA: 40.00 USD
S&H to World: 60.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 2 business days Purity: 97.0
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
2 mg January 28, 2020 129.80 USD
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5 mg January 28, 2020 182.90 USD
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S&H to USA: 60.00 USD
S&H to World: 180.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 20 business days Purity: >=98%
Last updated: last week In warehouse: Unverified
Pack size Ships out Price Qty
500 microg February 21, 2020 153.40 USD
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1 mg February 21, 2020 292.64 USD
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5 mg February 21, 2020 1150.50 USD
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More Information

Compound Identifiers
Compound number: MolPort-042-665-642
CAS number: 797035-11-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000014960423
MFCD09037559
1,3-Benzenedicarboxamide, N1-[(1S,2R)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]-
BACE-1 Inhibitor
N1-[(1S,2R)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]-1,3-benzenedicarboxamide
N-((1S,2R)-1-Benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide
?-Secretase Inhibitor IV

InChI
InChI: 1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
InChI key: VPNIQGRFZCTBEZ-SPTGULJVSA-N

Calculated Properties
Molecular formula: C31H38N4O5S
Molecular weight: 578.73

Other

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2020 MolPort, v3.33, release date 22-01-2020 14:00 (+0200). All rights reserved.
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