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76985-10-9 | N-tert-Butoxycarbonyl-2-naphthyl-D-alanine
CAS No: 76985-10-9 Catalog No: AG0036HU MDL No:MFCD00076900
Product Description
Catalog Number:
AG0036HU
Chemical Name:
N-tert-Butoxycarbonyl-2-naphthyl-D-alanine
CAS Number:
76985-10-9
Molecular Formula:
C18H21NO4
Molecular Weight:
315.3636
MDL Number:
MFCD00076900
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
InChI:
InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(16(20)21)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChI Key:
URKWHOVNPHQQTM-OAHLLOKOSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccc2c(c1)cccc2
EC Number:
616-417-1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
315.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.369g/mol
Monoisotopic Mass:
315.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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