Home Aminos 2-[(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanamido]acetic acid hydrochloride

2-[(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanamido]acetic acid hydrochloride

CAS No.:
83435-67-0
Catalog Number:
AG00IDAT
Molecular Formula:
C26H33ClN2O5
Molecular Weight:
489.0036
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$101
- +
500mg
95%
In Stock USA
United States
$185
- +
1g
95%
In Stock USA
United States
$303
- +
5g
95%
In Stock USA
United States
$994
- +
Product Description
Catalog Number:
AG00IDAT
Chemical Name:
2-[(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanamido]acetic acid hydrochloride
CAS Number:
83435-67-0
Molecular Formula:
C26H33ClN2O5
Molecular Weight:
489.0036
MDL Number:
MFCD00884619
IUPAC Name:
2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid;hydrochloride
InChI:
InChI=1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1
InChI Key:
FDJCVHVKXFIEPJ-JCNFZFLDSA-N
SMILES:
CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl
UNII:
2SMM3M5ZMH
Properties
Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
488.208g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
489.009g/mol
Monoisotopic Mass:
488.208g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Hydrolytic profile for ester- or amide-linkage by carboxylesterases pI 5.3 and 4.5 from human liver. Biological & pharmaceutical bulletin 19970801
Metabolic alkalosis and myoclonus from antacid ingestion. Internal medicine (Tokyo, Japan) 19960601
Properties