CDK 1030232201 48 49 0 0 0 0 0 0 0 0999 V2000 13.1416 0.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3570 0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7439 1.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1855 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4318 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7375 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5180 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5580 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2883 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8594 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5738 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0014 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4304 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1449 -2.8876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 2 0 0 0 0 45 47 2 0 0 0 0 47 48 1 0 0 0 0 8 9 1 0 0 0 0 46 47 1 0 0 0 0 M END > CHEBI:210391 > Ncp-E4-L > 2 > 1-[2-[[2-[[5-amino-2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]-3-methylpyrrolidine-2-carboxylic acid > C31H47N7O10 > 677.756 > 677.33844 > 0 > O=C(O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)CC2=CC=C(O)C=C2)CCC(=O)N)C(CC)C)CO)CCC1C > InChI=1S/C31H47N7O10/c1-4-16(2)25(29(45)36-22(15-39)30(46)38-12-11-17(3)26(38)31(47)48)37-28(44)21(9-10-23(33)41)35-24(42)14-34-27(43)20(32)13-18-5-7-19(40)8-6-18/h5-8,16-17,20-22,25-26,39-40H,4,9-15,32H2,1-3H3,(H2,33,41)(H,34,43)(H,35,42)(H,36,45)(H,37,44)(H,47,48) > YNQWIFGWOJAPAP-UHFFFAOYSA-N $$$$