101086355 CDK 1106201351 32 33 0 0 0 0 0 0 0 0999 V2000 4.5079 -2.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -3.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -3.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.0495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.7755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 1.6995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.7755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0789 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -1.1880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5079 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9369 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.7755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -2.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 2.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 3.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 4.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 4 21 2 0 0 0 0 5 28 1 0 0 0 0 6 28 2 0 0 0 0 10 7 1 6 0 0 0 7 16 1 0 0 0 0 12 8 1 6 0 0 0 8 13 1 0 0 0 0 14 9 1 6 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 19 28 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 26 29 2 0 0 0 0 27 29 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:161762 > Phe-Phe-Glu > 2 > (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid > C23H27N3O6 > 441.484 > 441.18999 > 0 > O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=CC=C2 > InChI=1S/C23H27N3O6/c24-17(13-15-7-3-1-4-8-15)21(29)26-19(14-16-9-5-2-6-10-16)22(30)25-18(23(31)32)11-12-20(27)28/h1-10,17-19H,11-14,24H2,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1 > RYQWALWYQWBUKN-FHWLQOOXSA-N $$$$