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HMCLAGFKTYIJCB-YHJOQWEYSA-N manufacturers and suppliers on PharmaCompass

HMCLAGFKTYIJCB-YHJOQWEYSA-N

HMCLAGFKTYIJCB-YHJOQWEYSA-N

Chemistry, 10 End Use API, 91 Related Intermediates

Manufacturers/Suppliers

10 Suppliers

10 Suppliers

Also known as: Chembl2131388, Chebi:127180, Brd-k27064849-001-01-3, Q27219525

Molecular Formula

C₃₆H₃₉F₃N₄O₄

Molecular Weight

648.7 g/mol

InChI Key

HMCLAGFKTYIJCB-YHJOQWEYSA-N

1 2D Structure

HMCLAGFKTYIJCB-YHJOQWEYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-naphthalen-1-ylurea

2.1.2 InChI

InChI=1S/C36H39F3N4O4/c1-23-19-43(24(2)22-44)34(45)18-27-17-29(40-35(46)41-31-10-6-8-26-7-4-5-9-30(26)31)15-16-32(27)47-33(23)21-42(3)20-25-11-13-28(14-12-25)36(37,38)39/h4-17,23-24,33,44H,18-22H2,1-3H3,(H2,40,41,46)/t23-,24-,33+/m0/s1

2.1.3 InChI Key

HMCLAGFKTYIJCB-YHJOQWEYSA-N

2.1.4 Canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)OC1CN(C)CC5=CC=C(C=C5)C(F)(F)F)C(C)CO

2.1.5 Isomeric SMILES

C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)CC5=CC=C(C=C5)C(F)(F)F)[C@@H](C)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Chembl2131388

2. Chebi:127180

3. Brd-k27064849-001-01-3

4. Q27219525

2.3 Create Date

2009-12-18

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₃₉F₃N₄O₄
Molecular Weight	648.7 g/mol
XLogP3	5.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	648.29234022 g/mol
Monoisotopic Mass	648.29234022 g/mol
Topological Polar Surface Area	94.1 Å²
Heavy Atom Count	47
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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URL Supplier Web Content

CAS Number

20859-02-3

End Use API

Glecaprevir

About the Company

Based on the excellent enzymatic technology platform, Enzymaster Chemical applies innovative technology t...

Based on the excellent enzymatic technology platform, Enzymaster Chemical applies innovative technology to realize its commercial production of chiral compounds.As a wholly-owned subsidiary of Enzymaster®, we think globally and devote to supply high quality chemical products, which are sustainable supply, with eco-friendly process and competitive price.Meanwhile, we provide domestic and overseas customers biocatalytic custom synthesis serves.

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