51439781 -OEChem-04262411302D 66 70 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 12.2431 2.7033 0.0000 O 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 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 9.6887 0.9681 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 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 12.3147 1.2909 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 12.6221 0.3393 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 11.3369 1.5005 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 10.6665 0.7585 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 11.9517 -0.4027 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 10.9739 -0.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5999 0.1297 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 2.8660 -2.0744 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 11.1463 2.0904 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 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 12.1422 -0.9927 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 10.5582 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4699 -0.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2061 -0.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7298 0.7359 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 9.4981 1.5581 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 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 17 1 0 0 0 0 4 22 2 0 0 0 0 5 25 2 0 0 0 0 6 33 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 27 1 0 0 0 0 9 18 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 33 1 0 0 0 0 10 62 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 61 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 1 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 28 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 30 2 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 34 2 0 0 0 0 26 31 1 0 0 0 0 27 33 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 29 35 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 34 36 1 0 0 0 0 34 63 1 0 0 0 0 35 37 1 0 0 0 0 35 64 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > 51439781 > 1 > 978 > 6 > 3 > 7 > AAADceB7uABAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFgB9AAAHgQQQAAADCjB3gQ/wfPJkAKoAzV3VHDCgDAxAiAI2bm4ZJiIYPLAkbGUIAxolyLIyAcYicCOiAAAACAGAAAQAAAAQAwAAAAAAAAAAA== > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)ethanamide > 2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-diketo-imidazolidin-1-yl]-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide > InChI=1S/C26H29N5O5S/c1-17-9-10-19(14-23(17)37(35,36)30-11-5-2-6-12-30)28-24(32)16-31-25(33)22(29-26(31)34)13-18-15-27-21-8-4-3-7-20(18)21/h3-4,7-10,14-15,22,27H,2,5-6,11-13,16H2,1H3,(H,28,32)(H,29,34)/t22-/m0/s1 > YVGSZVMMDPEYPS-QFIPXVFZSA-N > 2.5 > 523.18894022 > C26H29N5O5S > 523.6 > CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)CC3=CNC4=CC=CC=C43)S(=O)(=O)N5CCCCC5 > CC1=C(C=C(C=C1)NC(=O)CN2C(=O)[C@@H](NC2=O)CC3=CNC4=CC=CC=C43)S(=O)(=O)N5CCCCC5 > 140 > 523.18894022 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 29 8 11 30 8 17 20 8 17 23 8 18 19 5 20 28 8 21 24 8 21 30 8 23 26 8 24 29 8 24 34 8 26 31 8 28 31 8 29 35 8 34 36 8 35 37 8 36 37 8 $$$$