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204316-10-9 | Hexanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-hydroxy-5-methyl-, (3S,4S)-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS No: 204316-10-9 Catalog No: AG0029EI MDL No:MFCD00270198
Product Description
Catalog Number:
AG0029EI
Chemical Name:
Hexanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-hydroxy-5-methyl-, (3S,4S)-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS Number:
204316-10-9
Molecular Formula:
C34H48N2O5
Molecular Weight:
564.7553
MDL Number:
MFCD00270198
IUPAC Name:
N-cyclohexylcyclohexanamine;(3S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylhexanoic acid
InChI:
InChI=1S/C22H25NO5.C12H23N/c1-13(2)21(19(24)11-20(25)26)23-22(27)28-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-10,13,18-19,21,24H,11-12H2,1-2H3,(H,23,27)(H,25,26);11-13H,1-10H2/t19-,21-;/m0./s1
InChI Key:
KAPGVAORCLAAAF-RQBPZYBGSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)C[C@@H]([C@H](C(C)C)NC(=O)OCC1c2ccccc2c2c1cccc2)O
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
564.356g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
564.767g/mol
Monoisotopic Mass:
564.356g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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