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YNLDFNVDZZGPHE-VYRBHSGPSA-N manufacturers and suppliers on PharmaCompass

PharmaCompass
YNLDFNVDZZGPHE-VYRBHSGPSA-N
Also known as: N2-[1-ethoxycarbonyl-3-phenylpropyl]-n6-trifluoroacetyl-l-lysine, Schembl901541
Molecular Formula
C20H27F3N2O5
Molecular Weight
432.4  g/mol
InChI Key
YNLDFNVDZZGPHE-VYRBHSGPSA-N

1 2D Structure

YNLDFNVDZZGPHE-VYRBHSGPSA-N

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
2.1.2 InChI
InChI=1S/C20H27F3N2O5/c1-2-30-18(28)16(12-11-14-8-4-3-5-9-14)25-15(17(26)27)10-6-7-13-24-19(29)20(21,22)23/h3-5,8-9,15-16,25H,2,6-7,10-13H2,1H3,(H,24,29)(H,26,27)/t15-,16?/m0/s1
2.1.3 InChI Key
YNLDFNVDZZGPHE-VYRBHSGPSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(CCCCNC(=O)C(F)(F)F)C(=O)O
2.1.5 Isomeric SMILES
CCOC(=O)C(CCC1=CC=CC=C1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. N2-[1-ethoxycarbonyl-3-phenylpropyl]-n6-trifluoroacetyl-l-lysine

2. Schembl901541

2.3 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 432.4 g/mol
Molecular Formula C20H27F3N2O5
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass432.18720645 g/mol
Monoisotopic Mass432.18720645 g/mol
Topological Polar Surface Area105 Ų
Heavy Atom Count30
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content
URL Supplier Web Content
103300-91-0
Lisinopril
Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was succe...
Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceuticals, a large scaled modern pharmaceutical group that integrates fomulations, APIs(Active Pharmaceutical Ingredients) and intermediates, is developing both domestic and international markets, and performing parallel development of science, industry and commerce. With a total asset of 1,900 million yuan, the company has 11branches (subsidiaries) in the United States, Shanghai, Hangzhou, and Linhai.
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