145459084 CDK 1106202311 25 25 0 0 0 0 0 0 0 0999 V2000 5.7817 0.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2563 -0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5664 0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 0.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 0.1275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2233 -0.7216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 0.1696 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0731 -1.2487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4856 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 -0.4245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6540 -1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8147 0.4245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9863 1.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6102 -0.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4279 -0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8694 -1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2672 -1.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0079 -0.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6211 -1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 1.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7709 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1794 0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6606 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7405 -0.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 23 1 0 0 0 0 4 23 2 0 0 0 0 10 5 1 6 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 18 6 1 6 0 0 0 12 7 1 1 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 9 24 1 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 22 24 2 0 0 0 0 M END > CHEBI:166440 > Val-Val-His > 2 > (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid > C16H27N5O4 > 353.423 > 353.20630 > 0 > O=C(N[C@@H](CC=1NC=NC1)C(O)=O)[C@@H](NC(=O)[C@@H](N)C(C)C)C(C)C > InChI=1S/C16H27N5O4/c1-8(2)12(17)14(22)21-13(9(3)4)15(23)20-11(16(24)25)5-10-6-18-7-19-10/h6-9,11-13H,5,17H2,1-4H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 > SSKKGOWRPNIVDW-AVGNSLFASA-N $$$$