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Home Aminos (2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)

(2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)

CAS No.:
173334-58-2
Catalog Number:
AG001YT9
Molecular Formula:
C64H110N6O16
Molecular Weight:
1219.5888
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
In Stock USA
United States
$65
- +
10mg
95%
In Stock USA
United States
$103
- +
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$300
- +
5g
95%
In Stock USA
United States
$900
- +
10g
95%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG001YT9
Chemical Name:
(2E)-but-2-enedioic acid; bis((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide)
CAS Number:
173334-58-2
Molecular Formula:
C64H110N6O16
Molecular Weight:
1219.5888
MDL Number:
MFCD10566724
IUPAC Name:
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;(E)-but-2-enedioic acid
InChI:
InChI=1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1
InChI Key:
KLRSDBSKUSSCGU-KRQUFFFQSA-N
SMILES:
OC(=O)/C=C/C(=O)O.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N.COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N
UNII:
C8A0P8G029
Properties
Complexity:
836  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
1  
Exact Mass:
1218.798g/mol
Formal Charge:
0
Heavy Atom Count:
86  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
1219.61g/mol
Monoisotopic Mass:
1218.798g/mol
Rotatable Bond Count:
40  
Topological Polar Surface Area:
367A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Structural modification of the P2' position of 2,7-dialkyl-substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: the discovery of aliskiren, a potent nonpeptide human renin inhibitor active after once daily dosing in marmosets. Journal of medicinal chemistry 20071004
The power of visual imagery in synthesis planning. Stereocontrolled approaches to CGP-60536B, a potent renin inhibitor. The Journal of organic chemistry 20020614
Properties