1,5-Bis(N-Benzyloxycarbonyl-L-Leucinyl)Carbohydrazide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.

Benzyloxycarbonyls

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzyloxycarbonyls

Calculated Property

kind Value Source
logP 2.07 ALOGPS
logS -5.2 ALOGPS
Water Solubility 4.06e-03 g/l ALOGPS
logP 3.58 ChemAxon
IUPAC Name benzyl N-[(1R)-1-[({[(2R)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanehydrazido]carbonyl}amino)carbamoyl]-3-methylbutyl]carbamate ChemAxon
Traditional IUPAC Name benzyl N-[(1R)-1-[({[(2R)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanehydrazido]carbonyl}amino)carbamoyl]-3-methylbutyl]carbamate ChemAxon
Molecular Weight 584.6639 ChemAxon
Monoisotopic Weight 584.295847664 ChemAxon
SMILES CC(C)C[C@@H](NC(=O)OCC1=CC=CC=C1)C(=O)NNC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)OCC1=CC=CC=C1 ChemAxon
Molecular Formula C29H40N6O7 ChemAxon
InChI InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m1/s1 ChemAxon
InChIKey InChIKey=HGDUWJVGIGLVOH-DNQXCXABSA-N ChemAxon
Polar Surface Area (PSA) 175.99 ChemAxon
Refractivity 153.29 ChemAxon
Polarizability 61.99 ChemAxon
Rotatable Bond Count 16 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 9.26 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Cathepsin K : in Human