Janolusimide

Iupac Name：(2S)-N-[(2S,3S,4R)-5-[(5S)-3,3-dimethyl-2,4-dioxo-5-propan-2-ylpyrrolidin-1-yl]-3-hydroxy-4-methyl-5-oxopentan-2-yl]-2-(methylamino)propanamide

CAS No.: 103612-45-9

Molecular Weight：383.489

Modify Date.: 2022-11-02 01:08

Request For Quotation

1. Names and Identifiers

1.1 Name: Janolusimide
1.2 Synonyms: Janolusimide N-[(1S,2S,3R)-1,3-Dimethyl-2-hydroxy-4-oxo-4-[(5S)-2,4-dioxo-3,3-dimethyl-5α-isopropylpyrrolizino]butyl]-Nα-methyl-L-alaninamide

1.3 CAS No.: 103612-45-9

1.4 CID: 3037635

1.5 Molecular Formula: C19H33N3O5 (isomer)

1.6 Inchi: InChI=1S/C19H33N3O5/c1-9(2)13-15(24)19(6,7)18(27)22(13)17(26)10(3)14(23)11(4)21-16(25)12(5)20-8/h9-14,20,23H,1-8H3,(H,21,25)/t10-,11+,12+,13+,14+/m1/s1

1.7 InChkey: WGXYHQKAYMMOTR-QMVSFRDZSA-N

1.8 Canonical Smiles: CC(C)C1C(=O)C(C(=O)N1C(=O)C(C)C(C(C)NC(=O)C(C)NC)O)(C)C

1.9 Isomers Smiles: C[C@H]([C@@H]([C@H](C)NC(=O)[C@H](C)NC)O)C(=O)N1[C@H](C(=O)C(C1=O)(C)C)C(C)C

2. Properties

2.1 Density: 1.126

2.1 Boiling point: 593.3°Cat760mmHg

2.1 Refractive index: 1.501

2.1 Flash Point: 312.6°C

2.1 Precise Quality: 383.24200

2.1 PSA: 119.30000

2.1 logP: 1.25380

2.1 Color/Form: Powder

3. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

4. Computational chemical data

Molecular Weight: 383.489g/mol
Molecular Formula: C₁₉H₃₃N₃O₅
Compound Is Canonicalized: True
XLogP3-AA: 1.2
Exact Mass: 383.24202116
Monoisotopic Mass: 383.24202116
Complexity: 617
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 116
Heavy Atom Count: 27
Defined Atom Stereocenter Count: 5
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADzzhgAYCAAPAAgAIAIEQEAAAAAAAAAAAAIGIAAACUB4IgCAUQAACNiCQAAEcCAANAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Recommended Suppliers

Global2SuppliersView all >>

NovaChemistry Trading Company

Tel:+44 (0)208 191 7890

Janolusimide

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/23

Inquire

Wuhan Tianzhi Biotechnology Co., Ltd. Manufacturer

Tel:

(2S)-N-[(2S,3S,4R)-5-[(5S)-3,3-dimethyl-2,4-dioxo-5-propan-2-ylpyrrolidin-1-yl]-3-hydroxy-4-methyl-5-oxopentan-2-yl]-2-(methylamino)propanamide

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/04/01

Inquire

Recently Updated : 2074688-80-3 2832991-88-3 1404118-67-7 1008283-29-1 2639435-48-4 2692622-60-7 2692622-59-4 1240594-49-3 2621935-27-9 1093881-03-8