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95105-25-2 | Boc-N-Me-Tyr-OH.DCHA
CAS No: 95105-25-2 Catalog No: AG003OHX MDL No:MFCD00237569
Product Description
Catalog Number:
AG003OHX
Chemical Name:
Boc-N-Me-Tyr-OH.DCHA
CAS Number:
95105-25-2
Molecular Formula:
C27H44N2O5
Molecular Weight:
476.6487
MDL Number:
MFCD00237569
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C15H21NO5.C12H23N/c1-15(2,3)21-14(20)16(4)12(13(18)19)9-10-5-7-11(17)8-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,12,17H,9H2,1-4H3,(H,18,19);11-13H,1-10H2/t12-;/m0./s1
InChI Key:
DVADYPVUIPQNGV-YDALLXLXSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CN([C@H](C(=O)O)Cc1ccc(cc1)O)C(=O)OC(C)(C)C
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
476.325g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
476.658g/mol
Monoisotopic Mass:
476.325g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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