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210755-31-0 | D-Histidine, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1) (9CI)
CAS No: 210755-31-0 Catalog No: AG002KXT MDL No:MFCD00270617
Product Description
Catalog Number:
AG002KXT
Chemical Name:
D-Histidine, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1) (9CI)
CAS Number:
210755-31-0
Molecular Formula:
C32H40N4O6
Molecular Weight:
576.6832
MDL Number:
MFCD00270617
IUPAC Name:
cyclohexanamine;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C26H27N3O6.C6H13N/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;7-6-4-2-1-3-5-6/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,28,32)(H,30,31);6H,1-5,7H2/t22-;/m1./s1
InChI Key:
UDEXYAHZNOKVIG-VZYDHVRKSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1ncn(c1)C(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2.NC1CCCCC1
Properties
Complexity:
808
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
576.295g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
576.694g/mol
Monoisotopic Mass:
576.295g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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