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250611-06-4 | Boc-P-Carboxy-Phe(Otbu)-OH DCHA
CAS No: 250611-06-4 Catalog No: AG01FDNJ MDL No:
Product Description
Catalog Number:
AG01FDNJ
Chemical Name:
Boc-P-Carboxy-Phe(Otbu)-OH DCHA
CAS Number:
250611-06-4
Molecular Formula:
C31H50N2O6
Molecular Weight:
546.7385
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid
InChI:
InChI=1S/C19H27NO6.C12H23N/c1-18(2,3)25-16(23)13-9-7-12(8-10-13)11-14(15(21)22)20-17(24)26-19(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-10,14H,11H2,1-6H3,(H,20,24)(H,21,22);11-13H,1-10H2/t14-;/m0./s1
InChI Key:
LSQSODNJBBMPEG-UQKRIMTDSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
546.367g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
546.749g/mol
Monoisotopic Mass:
546.367g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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