71249967 -OEChem-10051722343D 73 75 0 1 0 0 0 0 0999 V2000 0.9868 0.4073 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 0.7990 1.5238 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -2.1451 0.5446 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 3.7758 -0.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 -2.2078 -2.4874 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 2.1163 -2.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 -0.4406 1.5586 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 0.1627 0.7048 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6635 1.2264 -0.2165 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -2.2585 -0.2204 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0871 3.2390 -2.7858 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.7879 1.0664 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0628 -1.5304 2.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 -0.7831 2.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3506 -0.9587 3.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.2982 1.6507 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4531 -1.6761 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 0.0919 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4091 1.7231 2.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1775 0.4921 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 2.4804 1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 1.4581 0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -2.0468 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -1.0706 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 2.4833 -0.6535 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1159 -1.0347 -0.5560 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5857 -1.2369 -1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 -3.2003 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 3.6930 0.0474 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7451 -0.9173 -2.0376 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0558 2.5659 -2.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8918 -1.5804 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7495 -3.5440 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -2.7341 -1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 3.6206 1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9148 -0.4799 -2.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 -2.6002 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 -1.4418 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 -0.0065 3.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -1.7239 3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 0.0116 3.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 -1.6144 4.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -0.4520 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8694 -2.5907 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -1.2107 -1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4541 2.1640 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0847 1.7445 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 2.7591 0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 3.3936 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1485 1.6007 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 1.4964 0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 0.8906 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2996 2.4621 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7505 -0.1948 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1448 -0.3487 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 -3.8558 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 4.6107 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9043 -0.2294 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4537 -0.9529 -2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2010 -4.4447 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1234 -2.2318 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6819 -2.3236 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4898 -3.0028 -1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 2.8157 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 3.4972 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3463 4.5467 2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 0.5002 -2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 -0.4185 -3.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7358 -1.2037 -2.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 4.5554 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 -2.1209 -3.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 3.6229 -2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 3.3746 -3.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 20 2 0 0 0 0 3 24 2 0 0 0 0 4 29 1 0 0 0 0 4 70 1 0 0 0 0 5 30 1 0 0 0 0 5 71 1 0 0 0 0 6 31 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 9 52 1 0 0 0 0 10 26 1 0 0 0 0 10 61 1 0 0 0 0 10 62 1 0 0 0 0 11 31 1 0 0 0 0 11 72 1 0 0 0 0 11 73 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 17 23 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 27 32 1 0 0 0 0 27 55 1 0 0 0 0 28 33 2 0 0 0 0 28 56 1 0 0 0 0 29 35 1 0 0 0 0 29 57 1 0 0 0 0 30 36 1 0 0 0 0 30 58 1 0 0 0 0 32 34 2 0 0 0 0 32 59 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > DB11784 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DVBUEXCIEIAXPM-PJUQSVSOSA-N/SDF?record_type=3d > C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1(CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O > InChI=1S/C25H37N5O6/c1-15(31)19(26)23(35)29-12-6-10-18(29)22(34)30-13-7-11-25(30,14-17-8-4-3-5-9-17)24(36)28-20(16(2)32)21(27)33/h3-5,8-9,15-16,18-20,31-32H,6-7,10-14,26H2,1-2H3,(H2,27,33)(H,28,36)/t15-,16-,18+,19+,20+,25-/m1/s1 > DVBUEXCIEIAXPM-PJUQSVSOSA-N > C25H37N5O6 > 503.6 > 503.274383931 > 7 > 73 > 51.232849462021804 > 1 > 5 > 0 > 0 > (2S,3R)-2-{[(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-2-benzylpyrrolidin-2-yl]formamido}-3-hydroxybutanamide > -0.41 > -1.6214573953333336 > -2.33 > 1 > 3 > 1 > 14.316108272787652 > 12.008679524434632 > 7.614012163580784 > 179.29000000000002 > 130.84720000000002 > 9 > 0 > 2.35e+00 g/l > (2S,3R)-2-{[(2R)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-2-benzylpyrrolidin-2-yl]formamido}-3-hydroxybutanamide > 0 $$$$