Marvin 11091214062D 11 10 0 0 0 0 999 V2000 12.9784 -8.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5494 -8.1431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2638 -8.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 -7.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6928 -8.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -8.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8350 -9.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1205 -8.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4060 -8.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4060 -9.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6916 -8.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 2 6 1 0 0 0 0 M END > CHEBI:70984 > N-isovalerylglycine > An N-acylglycine in which the acyl group is specified as isovaleryl. > 3 > N-Isovaleroylglycine; N-isopentanoylglycine; isovalerylglycine; isopentanoylglycine; 2-(3-Methylbutanoylamino)ethanoic acid > N-(3-methylbutanoyl)glycine; [(3-methylbutanoyl)amino]acetic acid > C7H13NO3 > 159.18300 > 159.08954 > 0 > CC(C)CC(=O)NCC(O)=O > InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11) > ZRQXMKMBBMNNQC-UHFFFAOYSA-N > 1766622 > 19368345; 22770225; 4636318; 6027258 $$$$