Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL C[C@@H](O)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O 20 19 0 0 0 0 1 V2000 2.1950 1.5300 0.0000 C 0 0 0 0 0 0 1.4750 2.2500 0.0000 C 0 0 1 0 0 0 0.7550 2.9700 0.0000 O 0 0 0 0 0 0 2.1950 2.9700 0.0000 C 0 0 2 0 0 0 1.4650 3.6900 0.0000 N 0 0 0 0 0 0 0.7450 4.4100 0.0000 C 0 0 0 0 0 0 1.0050 5.3900 0.0000 O 0 0 0 0 0 0 -0.2350 4.1400 0.0000 C 0 0 0 0 0 0 -1.2150 3.8700 0.0000 C 0 0 0 0 0 0 -2.1950 3.6000 0.0000 C 0 0 2 0 0 0 -1.9250 2.6100 0.0000 N 0 0 0 0 0 0 -3.1750 3.3300 0.0000 C 0 0 0 0 0 0 -3.8950 4.0500 0.0000 O 0 0 0 0 0 0 -3.4350 2.3400 0.0000 O 0 0 0 0 0 0 2.9150 3.6900 0.0000 C 0 0 0 0 0 0 3.8950 3.4200 0.0000 O 0 0 0 0 0 0 2.6450 4.6700 0.0000 O 0 0 0 0 0 0 2.4932 2.2500 0.0000 H 0 0 0 0 0 0 2.9150 2.2500 0.0000 H 0 0 0 0 0 0 -1.3076 3.0944 0.0000 H 0 0 0 0 0 0 2 1 1 1 2 3 1 6 4 2 1 6 4 5 1 1 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 10 9 1 6 10 11 1 6 10 12 1 1 12 13 2 0 12 14 1 0 4 15 1 6 15 16 2 0 15 17 1 0 2 18 1 6 4 19 1 1 10 20 1 1 M END