N-[(TERT-BUTOXY)CARBONYL]-L-TRYPTOPHAN

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key NFVNYBJCJGKVQK-ZDUSSCGKSA-N
Smiles CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChI
InChI=1/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N2O4
Molecular Weight 304.14
AlogP 2.89
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 94.91
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 13139-14-5
NORMAN SUSDAT
CONTENTS