100975528 CDK 1106201352 27 28 0 0 0 0 0 0 0 0999 V2000 5.2224 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 1.7270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0232 2.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 3.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2427 2.3401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0790 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 2 0 0 0 0 3 22 1 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 12 6 1 6 0 0 0 6 14 1 0 0 0 0 7 16 1 0 0 0 0 19 7 1 6 0 0 0 8 9 1 0 0 0 0 8 14 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:162443 > Pro-Leu-Phe > 2 > (2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-phenylpropanoic acid > C20H29N3O4 > 375.469 > 375.21581 > 0 > O=C(N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@H]2NCCC2 > InChI=1S/C20H29N3O4/c1-13(2)11-16(22-18(24)15-9-6-10-21-15)19(25)23-17(20(26)27)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17,21H,6,9-12H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t15-,16-,17-/m0/s1 > DRKAXLDECUGLFE-ULQDDVLXSA-N $$$$