Elastase Inhibitor, human leukocyte elastase (HLE) inhibitor

Key facts

CAS number

111682-13-4

Purity

>98%

Form

Solid

form

Molecular weight

474.9 Da

Molecular formula

C₂₀H₃₁ClN₄O₇

PubChem

5748191

Nature

Synthetic

Solubility

Soluble in ethanol to 10 mM

Biochemical name

methyl 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-4-chloro-3-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate

Canonical smiles

CC(C(=O)NC(C)C(=O)NC(=O)C1CCCN1C(C)C(=O)CCl)NC(=O)CCC(=O)OC

Isomeric smiles

C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C)C(=O)CCl)NC(=O)CCC(=O)OC

InChi

InChI=1S/C20H31ClN4O7/c1-11(22-16(27)7-8-17(28)32-4)18(29)23-12(2)19(30)24-20(31)14-6-5-9-25(14)13(3)15(26)10-21/h11-14H,5-10H2,1-4H3,(H,22,27)(H,23,29)(H,24,30,31)/t11-,12-,13-,14-/m0/s1

InChiKey

RHGXHACEVXSAHV-XUXIUFHCSA-N

IUPAC Name

methyl 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-4-chloro-3-oxobutan-2-yl]pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate