Products 2412965-59-2

CAS 2412965-59-2 appears in our catalog under these names: SARS-CoV-2-IN-1, MPro 13b. Offered by: TargetMol, MedChemExpress, GLPBio. Available pack sizes: 5mg, 5 mg.

SARS-CoV-2-IN-1
TargetMol, MedChemExpress
  • size: 5mg, 5 mg
  • Variants: 2
from 3482.26
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MPro 13b
GLPBio
  • size: 5mg
  • Variants: 1
from 2286.70
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Structural formula: {0} (CAS {1})

Tert-butyl N-[1-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate (CAS 2412965-59-2) is a chemical compound with the molecular formula C31H39N5O7 and a molecular weight of 593.7 g/mol. IUPAC name: tert-butyl N-[1-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate. InChIKey: NLVRHQFXQFSBQK-XWGVYQGASA-N.

Identity
Molecular formulaC31H39N5O7
Molecular weight593.7 g/mol
IUPAC nametert-butyl N-[1-[(2S)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
InChIKeyNLVRHQFXQFSBQK-XWGVYQGASA-N
SMILESCC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCC4=CC=CC=C4

Computed by PubChem (NCBI)

Synonyms: SARS-CoV-2-IN-1, SARS-CoV-2 M(pro) alpha-ketoamide inhibitor 13b, MPro 13b, Mpro inhibitor 13b, alpha-Ketoamide-13b, Mpro inhibitor 13b-K, alpha-ketoamide inhibitor 13b, orb1708587, 13b-K ((S,S,S)-diastereomer), SARS-CoV-2 Mpro inhibitor 13b-K
Isomers (same molecular formula)
(2'R,5'S,11'S,14'S,18'E)-2',11'-dimethyl-14'-propan-2-ylspiro[1,3-dioxane-5,17'-15-oxa-3,9,12,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaene]-4',10',13',16'-tetrone C31H39N5O7
tert-butyl N-[1-[(2R)-1-[[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-5-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate C31H39N5O7