145457839 CDK 1106201352 26 26 0 0 0 0 0 0 0 0999 V2000 4.5079 0.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 0.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -2.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 3.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -1.0808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 -0.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 3.0442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0789 -1.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.3942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0789 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -1.0808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7934 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -3.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -3.5557 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 22 1 0 0 0 0 5 22 2 0 0 0 0 6 25 2 0 0 0 0 11 7 1 1 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 14 8 1 6 0 0 0 17 9 1 1 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 18 25 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 M END > CHEBI:163341 > Ser-Phe-Asn > 2 > (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid > C16H22N4O6 > 366.374 > 366.15393 > 0 > O=C(N[C@@H](CC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CO)CC1=CC=CC=C1 > InChI=1S/C16H22N4O6/c17-10(8-21)14(23)19-11(6-9-4-2-1-3-5-9)15(24)20-12(16(25)26)7-13(18)22/h1-5,10-12,21H,6-8,17H2,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t10-,11-,12-/m0/s1 > GDUZTEQRAOXYJS-SRVKXCTJSA-N $$$$