Mrv1533004191513202D 36 38 0 0 0 0 999 V2000 5.0013 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -0.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 -1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 -1.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 -2.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -2.2225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7605 -2.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5451 -1.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5055 -3.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6805 -3.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1956 -3.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 -3.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5312 -4.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 M END > NP0260674 > NP-MRD > CC(C)C(NC(=O)C(O)C(N)CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(O)=O > InChI=1S/C25H36N4O7/c1-14(2)20(27-22(32)21(31)17(26)11-15-7-4-3-5-8-15)24(34)28-10-6-9-18(28)23(33)29-13-16(30)12-19(29)25(35)36/h3-5,7-8,14,16-21,30-31H,6,9-13,26H2,1-2H3,(H,27,32)(H,35,36) > SWITUXFHGUGTCX-UHFFFAOYSA-N > C25H36N4O7 > 504.584 > 504.258399515 > 8 > 72 > 51.93646491138513 > 1 > 5 > 0 > 0 > 1-{1-[2-(3-amino-2-hydroxy-4-phenylbutanamido)-3-methylbutanoyl]pyrrolidine-2-carbonyl}-4-hydroxypyrrolidine-2-carboxylic acid > -1.96 > -3.141579580876577 > -2.19 > 1 > 3 > 0 > 12.118257723616098 > 3.2899701119440325 > 8.348424975690236 > 173.49999999999997 > 128.66269999999997 > 9 > 0 > 3.28e+00 g/l > 1-{1-[2-(3-amino-2-hydroxy-4-phenylbutanamido)-3-methylbutanoyl]pyrrolidine-2-carbonyl}-4-hydroxypyrrolidine-2-carboxylic acid > 0 > NP0260674 > 1-(1-{2-[(3-amino-1,2-dihydroxy-4-phenylbutylidene)amino]-3-methylbutanoyl}pyrrolidine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid $$$$