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361442-00-4 | (2S)-[(tert-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic acid
CAS No: 361442-00-4 Catalog No: AG0039PV MDL No:MFCD16660445
Product Description
Catalog Number:
AG0039PV
Chemical Name:
(2S)-[(tert-Butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.13,7]decan-1-yl)ethanoic acid
CAS Number:
361442-00-4
Molecular Formula:
C17H27NO5
Molecular Weight:
325.4000
MDL Number:
MFCD16660445
IUPAC Name:
(2S)-2-(3-hydroxy-1-adamantyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11?,12-,16?,17?/m1/s1
InChI Key:
UKCKDSNFBFHSHC-ZEJPWUNMSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C12CC3CC(C1)CC(C2)(C3)O)C(=O)O
EC Number:
700-361-0
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
325.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.405g/mol
Monoisotopic Mass:
325.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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