HMDB0255028 RDKit 3D N-(p-Toluenesulfonyl)-L-phenylalanyl Chloromethyl Ketone 43 44 0 0 0 0 0 0 0 0999 V2000 3.7888 -2.7688 1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0894 -1.6974 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 -1.8751 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 -0.9034 -1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 0.3019 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 1.5184 -1.8780 S 0 0 0 0 0 6 0 0 0 0 0 0 1.4558 1.3481 -3.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 2.8631 -1.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6897 1.4112 -1.7181 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 1.6035 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 0.4350 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 -0.8715 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 -1.3314 1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 -2.5555 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 -3.3743 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7256 -2.9337 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -1.6912 -1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 2.8171 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 3.4611 -1.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7886 3.3119 0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6312 2.7152 1.8873 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6685 4.5077 0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7897 5.2350 -0.8144 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 0.4982 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 -0.5063 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -2.9625 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 -3.6600 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 -2.4388 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 -2.8146 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8506 -1.0620 -2.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 0.8966 -2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 1.7355 0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5867 0.6329 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 0.3821 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 -0.7068 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2431 -2.8744 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3493 -4.3367 0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 -3.5831 -1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 -1.3944 -2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6751 4.2909 1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 5.2902 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8536 1.4346 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 -0.3481 2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 10 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 5 24 1 0 24 25 2 0 25 2 1 0 17 12 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 4 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 22 40 1 0 22 41 1 0 24 42 1 0 25 43 1 0 M END