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2212-76-2 | Z-Lys(Boc)-OH.DCHA
CAS No: 2212-76-2 Catalog No: AG003VEY MDL No:MFCD00038269
Product Description
Catalog Number:
AG003VEY
Chemical Name:
Z-Lys(Boc)-OH.DCHA
CAS Number:
2212-76-2
Molecular Formula:
C31H51N3O6
Molecular Weight:
561.7531
MDL Number:
MFCD00038269
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
InChI:
InChI=1S/C19H28N2O6.C12H23N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2/t15-;/m0./s1
InChI Key:
VTDLJMATIHSOTR-RSAXXLAASA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H](NC(=O)OCc1ccccc1)CCCCNC(=O)OC(C)(C)C
EC Number:
218-663-1
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
561.378g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
561.764g/mol
Monoisotopic Mass:
561.378g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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