CDK 0521202331 42 44 0 0 0 0 0 0 0 0999 V2000 16.3125 -6.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5958 -6.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0246 -6.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7414 -6.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0199 -7.4166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4891 -6.5214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0446 -5.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6362 -5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8283 -5.3616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.3166 -5.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8837 -6.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1669 -6.5752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4548 -6.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8884 -5.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1622 -7.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8743 -7.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8696 -8.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5911 -7.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7380 -6.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0259 -6.1505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7333 -7.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0306 -5.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3091 -6.5589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7474 -4.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3185 -4.9089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5970 -6.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8802 -6.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6017 -5.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1681 -6.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4512 -6.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 -6.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 -6.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0195 -7.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7367 -7.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4501 -7.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9196 -4.7806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7342 -4.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1318 -4.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5625 -3.5993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8132 -3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0892 -3.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1220 -4.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 1 0 0 0 19 21 2 0 0 0 0 10 36 1 0 0 0 0 20 22 1 1 0 0 0 4 6 2 0 0 0 0 20 23 1 0 0 0 0 2 11 1 0 0 0 0 22 24 1 0 0 0 0 1 3 1 0 0 0 0 22 25 1 0 0 0 0 11 12 1 0 0 0 0 23 26 1 0 0 0 0 1 2 1 0 0 0 0 26 27 1 0 0 0 0 12 13 1 0 0 0 0 26 28 2 0 0 0 0 3 4 1 0 0 0 0 27 29 1 0 0 0 0 11 14 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 12 15 1 6 0 0 0 31 32 1 0 0 0 0 6 7 1 0 0 0 0 32 33 2 0 0 0 0 15 16 1 0 0 0 0 33 34 1 0 0 0 0 7 8 2 0 0 0 0 34 35 2 0 0 0 0 35 30 1 0 0 0 0 16 17 1 0 0 0 0 36 37 1 0 0 0 0 8 9 1 0 0 0 0 16 18 1 0 0 0 0 9 4 1 0 0 0 0 13 19 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 36 1 0 0 0 0 3 5 2 0 0 0 0 40 41 2 0 0 0 0 19 20 1 0 0 0 0 36 42 1 6 0 0 0 M END > CHEBI:149987 > Benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate > 2 > C29H39N5O6S > 585.720 > 585.26211 > 0 > [C@H](C[C@@]1(CCNC1=O)[H])(C(C2=NC=CS2)=O)NC([C@@H](NC(=O)[C@H](C(C)C)NC(OCC3=CC=CC=C3)=O)CC(C)C)=O > InChI=1S/C29H39N5O6S/c1-17(2)14-22(33-27(38)23(18(3)4)34-29(39)40-16-19-8-6-5-7-9-19)26(37)32-21(15-20-10-11-30-25(20)36)24(35)28-31-12-13-41-28/h5-9,12-13,17-18,20-23H,10-11,14-16H2,1-4H3,(H,30,36)(H,32,37)(H,33,38)(H,34,39)/t20-,21-,22-,23-/m0/s1 > NHPGFNNCMAVKMC-MLCQCVOFSA-N $$$$