4466133 CDK 0602212312 22 23 0 0 0 0 0 0 0 0999 V2000 4.5079 -0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -2.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.0160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 2.9439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 3.7285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 2.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1753 2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 3.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 1 0 0 0 0 3 15 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 7 18 1 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 M END > CHEBI:174893 > Histidinyl-Phenylalanine > 2 > 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid > C15H18N4O3 > 302.334 > 302.13789 > 0 > O=C(NC(CC1=CC=CC=C1)C(O)=O)C(N)CC=2NC=NC2 > InChI=1S/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22) > XMAUFHMAAVTODF-UHFFFAOYSA-N $$$$