Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCl 31 31 0 0 0 0 1 V2000 1.8200 1.5300 0.0000 C 0 0 0 0 0 0 2.3400 2.4100 0.0000 C 0 0 0 0 0 0 3.2200 1.9000 0.0000 C 0 0 0 0 0 0 2.3500 3.4200 0.0000 C 0 0 0 0 0 0 2.3600 4.4300 0.0000 C 0 0 2 0 0 0 1.3500 4.4300 0.0000 N 0 0 0 0 0 0 0.3400 4.4300 0.0000 C 0 0 0 0 0 0 -0.1700 3.5500 0.0000 O 0 0 0 0 0 0 -0.5400 4.9400 0.0000 C 0 0 0 0 0 0 -1.4200 5.4500 0.0000 N 0 0 0 0 0 0 -2.4300 5.4500 0.0000 C 0 0 0 0 0 0 -2.9400 4.5600 0.0000 O 0 0 0 0 0 0 -3.3100 5.9600 0.0000 O 0 0 0 0 0 0 -4.1900 6.4700 0.0000 C 0 0 0 0 0 0 -5.0700 6.9800 0.0000 C 0 0 0 0 0 0 -5.0400 7.9600 0.0000 C 0 0 0 0 0 0 -5.9200 8.4700 0.0000 C 0 0 0 0 0 0 -6.8000 7.9700 0.0000 C 0 0 0 0 0 0 -6.8100 6.9700 0.0000 C 0 0 0 0 0 0 -5.9400 6.4700 0.0000 C 0 0 0 0 0 0 3.2400 4.9300 0.0000 C 0 0 0 0 0 0 4.1200 4.4100 0.0000 O 0 0 0 0 0 0 3.7500 5.8100 0.0000 N 0 0 0 0 0 0 4.2600 6.6900 0.0000 C 0 0 1 0 0 0 3.3700 7.2000 0.0000 C 0 0 0 0 0 0 4.7700 7.5700 0.0000 C 0 0 0 0 0 0 4.7700 8.5800 0.0000 O 0 0 0 0 0 0 5.7900 7.5700 0.0000 C 0 0 0 0 0 0 6.8100 7.5700 0.0000 Cl 0 0 0 0 0 0 3.2313 3.9171 0.0000 H 0 0 0 0 0 0 5.1400 6.1800 0.0000 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 5 4 1 6 5 6 1 1 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 21 1 6 21 22 2 0 21 23 1 0 24 23 1 1 24 25 1 6 24 26 1 1 26 27 2 0 26 28 1 0 28 29 1 0 5 30 1 1 24 31 1 6 M END