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31981-55-2 | N-[(Benzyloxy)carbonyl]-3-[1-[(tricyclo[3.3.1.13,7]decan-1-yloxy)carbonyl]-1H-imidazol-5-yl]-L-alanine
CAS No: 31981-55-2 Catalog No: AG00D0IA MDL No:
Product Description
Catalog Number:
AG00D0IA
Chemical Name:
N-[(Benzyloxy)carbonyl]-3-[1-[(tricyclo[3.3.1.13,7]decan-1-yloxy)carbonyl]-1H-imidazol-5-yl]-L-alanine
CAS Number:
31981-55-2
IUPAC Name:
(2S)-3-[3-(1-adamantyloxycarbonyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C25H29N3O6/c29-22(30)21(27-23(31)33-14-16-4-2-1-3-5-16)9-20-13-26-15-28(20)24(32)34-25-10-17-6-18(11-25)8-19(7-17)12-25/h1-5,13,15,17-19,21H,6-12,14H2,(H,27,31)(H,29,30)/t17?,18?,19?,21-,25?/m0/s1
InChI Key:
IOUSVUVYYBCHLJ-SKLOBRBISA-N
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
467.206g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.522g/mol
Monoisotopic Mass:
467.206g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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