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119975-53-0 | L-Aspartic acid, N-[2-(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]-
CAS No: 119975-53-0 Catalog No: AG000PWS MDL No:
Product Description
Catalog Number:
AG000PWS
Chemical Name:
L-Aspartic acid, N-[2-(2,3-dihydro-2-oxo-1H-indol-3-yl)acetyl]-
CAS Number:
119975-53-0
Molecular Formula:
C14H14N2O6
Molecular Weight:
306.2708
IUPAC Name:
(2S)-2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]butanedioic acid
InChI:
InChI=1S/C14H14N2O6/c17-11(15-10(14(21)22)6-12(18)19)5-8-7-3-1-2-4-9(7)16-13(8)20/h1-4,8,10H,5-6H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t8?,10-/m0/s1
InChI Key:
SDOOMIWSQMGJCL-HTLJXXAVSA-N
SMILES:
O=C(CC1C(=O)Nc2c1cccc2)N[C@H](C(=O)O)CC(=O)O
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
306.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
306.274g/mol
Monoisotopic Mass:
306.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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