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1263045-09-5 | L-Alanine, 3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 1263045-09-5 Catalog No: AG000SI6 MDL No:MFCD05663730
Product Description
Catalog Number:
AG000SI6
Chemical Name:
L-Alanine, 3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
1263045-09-5
Molecular Formula:
C18H28N2O6
Molecular Weight:
368.4247
MDL Number:
MFCD05663730
IUPAC Name:
(2S)-3-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C18H28N2O6/c1-10(14-12(21)7-18(5,6)8-13(14)22)19-9-11(15(23)24)20-16(25)26-17(2,3)4/h11,21H,7-9H2,1-6H3,(H,20,25)(H,23,24)/t11-/m0/s1
InChI Key:
JONCDJKRGMZBBL-NSHDSACASA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
368.195g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
368.43g/mol
Monoisotopic Mass:
368.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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