26888667 -OEChem-05112417592D 63 67 0 1 0 0 0 0 0999 V2000 12.9851 2.0328 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7271 1.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2431 2.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8772 0.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4892 -1.6931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3257 -0.7255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6555 2.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3701 -0.3063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 -1.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.8791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6887 0.9681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6333 2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3482 3.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3037 3.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0186 4.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9964 4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.1129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 -1.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3147 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3369 1.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0405 0.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6221 0.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6665 0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0183 0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9517 -0.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9739 -0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4001 1.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1585 2.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9673 4.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8002 3.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6846 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8517 3.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2518 5.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4934 4.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6105 4.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0191 4.8784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 -1.7115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -1.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 -2.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1463 2.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 1.0102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5153 0.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2283 0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -4.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4981 1.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1422 -0.9927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5582 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 30 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 9 50 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 56 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 58 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 1 0 0 0 17 21 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 24 1 0 0 0 0 19 26 2 0 0 0 0 20 22 1 0 0 0 0 20 28 2 0 0 0 0 22 27 1 0 0 0 0 22 32 2 0 0 0 0 24 29 2 0 0 0 0 24 51 1 0 0 0 0 25 30 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 31 1 0 0 0 0 26 54 1 0 0 0 0 27 34 2 0 0 0 0 28 55 1 0 0 0 0 29 33 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 57 1 0 0 0 0 33 60 1 0 0 0 0 34 36 1 0 0 0 0 34 61 1 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 M END > 26888667 > 1 > 947 > 6 > 3 > 7 > AAADceB7uABAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgB9AAAHgQQQAAADCjB3gQ9wfPJkAKoAzV3VHDCgDAxAiAI2bm4ZJiIYPLAkbGUIAxolyLIyAcYicCOgAAAACACAAAAAAAAQAQAAAAAAAAAAA== > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[3-(1-piperidylsulfonyl)phenyl]acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-diketo-imidazolidin-1-yl]-N-(3-piperidinosulfonylphenyl)acetamide > InChI=1S/C25H27N5O5S/c31-23(27-18-7-6-8-19(14-18)36(34,35)29-11-4-1-5-12-29)16-30-24(32)22(28-25(30)33)13-17-15-26-21-10-3-2-9-20(17)21/h2-3,6-10,14-15,22,26H,1,4-5,11-13,16H2,(H,27,31)(H,28,33)/t22-/m0/s1 > HIVJMOXQTKVCBX-QFIPXVFZSA-N > 2.2 > 509.17329015 > C25H27N5O5S > 509.6 > C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54 > C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)[C@@H](NC3=O)CC4=CNC5=CC=CC=C54 > 140 > 509.17329015 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 27 8 10 28 8 17 18 5 19 24 8 19 26 8 20 22 8 20 28 8 22 27 8 22 32 8 24 29 8 26 31 8 27 34 8 29 33 8 31 33 8 32 35 8 34 36 8 35 36 8 $$$$