1,1-Dimethylethyl 5-Amino-5-oxo-4-[[(phenylmethoxy)carbonyl]amino]pentanoate - CAS 106571-82-8

Catalog:	BB066523
Product Name:	1,1-Dimethylethyl 5-Amino-5-oxo-4-[[(phenylmethoxy)carbonyl]amino]pentanoate
CAS:	106571-82-8
Synonyms:	1,1-Dimethylethyl 5-Amino-5-oxo-4-[[(phenylmethoxy)carbonyl]amino]pentanoate; tert- Butyl 5- Amino- 4- (((benzyloxy) carbonyl) amino) - 5- oxopentanoate

Technical Data

IUPAC Name:	tert-butyl 5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
Description:	1,1-Dimethylethyl 5-Amino-5-oxo-4-[[(phenylmethoxy)carbonyl]amino]pentanoate is a useful reagent for peptide synthesis.
Molecular Weight:	336.38
Molecular Formula:	C17H24N2O5
Canonical SMILES:	CC(C)(C)OC(=O)CCC(C(=O)N)NC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C17H24N2O5/c1-17(2,3)24-14(20)10-9-13(15(18)21)19-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H2,18,21)(H,19,22)
InChI Key:	FVASJFMQBNYNSN-UHFFFAOYSA-N
References:	Klieger, E., et al. Justus Liebigs Ann. Chem., 655, 195 (1962).

Complexity:	439
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	336.16852187
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	336.16852187
Rotatable Bond Count:	10
Topological Polar Surface Area:	108Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6