Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL NCCCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O 21 20 0 0 0 0 1 V2000 5.3600 4.3500 0.0000 N 0 0 0 0 0 0 4.3800 4.0900 0.0000 C 0 0 0 0 0 0 3.4000 3.8300 0.0000 C 0 0 0 0 0 0 2.4200 3.5700 0.0000 C 0 0 0 0 0 0 1.4400 3.3100 0.0000 C 0 0 0 0 0 0 0.4600 3.0500 0.0000 C 0 0 2 0 0 0 -0.5200 2.7800 0.0000 N 0 0 0 0 0 0 -1.5000 2.5100 0.0000 C 0 0 0 0 0 0 -1.7600 1.5300 0.0000 O 0 0 0 0 0 0 -2.2200 3.2300 0.0000 C 0 0 0 0 0 0 -2.9400 3.9500 0.0000 C 0 0 0 0 0 0 -3.6600 4.6700 0.0000 C 0 0 2 0 0 0 -2.9300 5.3900 0.0000 N 0 0 0 0 0 0 -4.3800 5.3900 0.0000 C 0 0 0 0 0 0 -5.3600 5.1200 0.0000 O 0 0 0 0 0 0 -4.1100 6.3700 0.0000 O 0 0 0 0 0 0 0.2000 4.0300 0.0000 C 0 0 0 0 0 0 0.9200 4.7500 0.0000 O 0 0 0 0 0 0 -0.7800 4.2900 0.0000 O 0 0 0 0 0 0 0.7250 2.0700 0.0000 H 0 0 0 0 0 0 -2.6382 4.6665 0.0000 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 6 5 1 6 6 7 1 6 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 12 11 1 1 12 13 1 1 12 14 1 6 14 15 2 0 14 16 1 0 6 17 1 1 17 18 2 0 17 19 1 0 6 20 1 1 12 21 1 6 M END