Marvin 02010814482D 12 11 0 0 1 0 999 V2000 0.0000 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 12 2 2 0 0 0 0 3 10 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 1 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 11 6 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 M END > CHEBI:21547 > N-acetyl-L-aspartic acid > An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl. > 3 > NAA; N-acetylaspartic acid; L-N-acetylaspartic acid; acetylaspartic acid; acetyl-L-aspartic acid; (S)-2-(acetylamino)succinic acid; (S)-2-(acetylamino)butanedioic acid > (2S)-2-acetamidobutanedioic acid > C6H9NO5 > 175.13940 > 175.04807 > 0 > CC(=O)N[C@@H](CC(O)=O)C(O)=O > InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 > OTCCIMWXFLJLIA-BYPYZUCNSA-N > 1726198 > 997-55-7 > 1726198 > 997-55-7 > C01042 > CPD-420 > 997-55-7 > N-acetylaspartic_acid > 1400776; 1583881; 17190852; 17703473; 19445994; 19816853; 20362635; 20946933; 21547934; 21608034; 21920405; 22284151; 2272391; 22770225; 2324740; 6131106 $$$$