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1263046-98-5 | L-Alanine, N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS No: 1263046-98-5 Catalog No: AG000SJA MDL No:MFCD05663745
Product Description
Catalog Number:
AG000SJA
Chemical Name:
L-Alanine, N-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS Number:
1263046-98-5
Molecular Formula:
C28H30N2O6
Molecular Weight:
490.5476
MDL Number:
MFCD05663745
IUPAC Name:
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]propanoic acid
InChI:
InChI=1S/C28H30N2O6/c1-16(25-23(31)12-28(2,3)13-24(25)32)30-22(26(33)34)14-29-27(35)36-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,31H,12-15H2,1-3H3,(H,29,35)(H,33,34)/t22-/m0/s1
InChI Key:
RLKWTEXBXUEJRZ-QFIPXVFZSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NC[C@@H](C(=O)O)NC(=C1C(=O)CC(CC1=O)(C)C)C
Properties
Complexity:
916
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
490.21g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
490.556g/mol
Monoisotopic Mass:
490.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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