1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]pyridin-3-yl]methyl (2S)-2-amino-3-methylbutanoate

2.1.2 InChI

InChI=1S/C30H34FN3O5/c1-18(2)27(32)30(36)39-17-22-5-4-12-33-28(22)21-9-11-25(38-16-19-6-7-19)23(14-21)29(35)34-15-20-8-10-26(37-3)24(31)13-20/h4-5,8-14,18-19,27H,6-7,15-17,32H2,1-3H3,(H,34,35)/t27-/m0/s1

2.1.3 InChI Key

ONYMVJFFLSQCKA-MHZLTWQESA-N

2.2 Other Identifiers

2.2.1 UNII

22TB7Q431D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Mirivadelgat [inn]

2. Schembl18582798

3. 22tb7q431d

4. 1804941-96-5

5. L-valine 2-[4-(cyclopropylmethoxy)-3-[n-(3-fluoro-4-methoxybenzyl)carbamoyl]phenyl]pyridin-3-ylmethyl Ester

6. L-valine, [2-[4-(cyclopropylmethoxy)-3-[[[(3-fluoro-4-methoxyphenyl)methyl]amino]carbonyl]phenyl]-3-pyridinyl]methyl Ester

2.4 Create Date

2017-04-22

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₄FN₃O₅
Molecular Weight	535.6 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	113
Heavy Atom Count	39
Formal Charge	0
Complexity	797
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Mirivadelgat

Mirivadelgat

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