145456742 CDK 1106201351 29 29 0 0 0 0 0 0 0 0999 V2000 5.2223 0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 3.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 3.5846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.1096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.1279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3658 -3.8404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 3.5846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.1279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9369 -0.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9369 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.9346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3658 -3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 18 2 0 0 0 0 3 25 1 0 0 0 0 4 25 2 0 0 0 0 5 28 2 0 0 0 0 11 6 1 1 0 0 0 6 16 1 0 0 0 0 7 18 1 0 0 0 0 20 7 1 6 0 0 0 12 8 1 1 0 0 0 9 21 1 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 17 21 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 28 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 26 29 2 0 0 0 0 27 29 1 0 0 0 0 M END > CHEBI:160180 > Lys-Phe-Asn > 2 > (2S)-4-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid > C19H29N5O5 > 407.471 > 407.21687 > 0 > O=C(N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)CCCCN > InChI=1S/C19H29N5O5/c20-9-5-4-8-13(21)17(26)23-14(10-12-6-2-1-3-7-12)18(27)24-15(19(28)29)11-16(22)25/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,26)(H,24,27)(H,28,29)/t13-,14-,15-/m0/s1 > ODTZHNZPINULEU-KKUMJFAQSA-N $$$$