10177889 CDK 1106201351 24 23 0 0 0 0 0 0 0 0999 V2000 8.0802 1.9058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.9058 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -1.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 0.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 -0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.1568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.5692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2223 -1.3942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3658 -0.1568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9369 -0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.1568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3658 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 -0.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7947 2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 12 3 1 1 0 0 0 4 14 2 0 0 0 0 5 17 2 0 0 0 0 6 22 1 0 0 0 0 7 22 2 0 0 0 0 11 8 1 6 0 0 0 8 17 1 0 0 0 0 13 9 1 1 0 0 0 9 14 1 0 0 0 0 15 10 1 1 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > CHEBI:161109 > Met-Thr-Met > 2 > (2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulanylbutanoic acid > C14H27N3O5S2 > 381.510 > 381.13921 > 0 > S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCSC)[C@H](O)C)C(O)=O)C > InChI=1S/C14H27N3O5S2/c1-8(18)11(17-12(19)9(15)4-6-23-2)13(20)16-10(14(21)22)5-7-24-3/h8-11,18H,4-7,15H2,1-3H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9+,10+,11+/m1/s1 > KYJHWKAMFISDJE-RCWTZXSCSA-N $$$$