N-(TERT-BUTOXYCARBONYL)-L-VALYL-L-LEUCYL-N-(4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL)-L-LYSINAMIDE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20994331

Structure

InChI Key KVLPXRKIIFWZLM-DPZBCOQUSA-N
Smiles O=C1OC=2C=C(C=CC2C(=C1)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC(C)C)CCCCN
InChI
InChI=1/C32H49N5O7/c1-18(2)15-24(36-30(41)27(19(3)4)37-31(42)44-32(6,7)8)29(40)35-23(11-9-10-14-33)28(39)34-21-12-13-22-20(5)16-26(38)43-25(22)17-21/h12-13,16-19,23-24,27H,9-11,14-15,33H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H49N5O7
Molecular Weight 615.36
AlogP 6.27
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 14.0
Polar Surface Area 195.82
Heavy Atoms 44.0

Cross References

Resources Reference
CAS NUMBER 73554-84-4
NORMAN SUSDAT
PubChem 126375
CONTENTS