145458549 CDK 1106201353 26 26 0 0 0 0 0 0 0 0999 V2000 7.3658 2.5534 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 1.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 4.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 4.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.4909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 2.5534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -1.1591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.3159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2224 2.9659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0789 -0.7466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 -1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6514 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0803 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 26 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 5 20 2 0 0 0 0 6 25 1 0 0 0 0 10 7 1 1 0 0 0 7 16 1 0 0 0 0 11 8 1 6 0 0 0 8 15 1 0 0 0 0 12 9 1 1 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 M END > CHEBI:164944 > Tyr-Ala-Met > 2 > (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-methylsulanylbutanoic acid > C17H25N3O5S > 383.460 > 383.15149 > 0 > S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C)C(O)=O)C > InChI=1S/C17H25N3O5S/c1-10(15(22)20-14(17(24)25)7-8-26-2)19-16(23)13(18)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t10-,13-,14-/m0/s1 > CDRYEAWHKJSGAF-BPNCWPANSA-N $$$$