10962474 -OEChem-05052416142D 65 69 0 1 0 0 0 0 0999 V2000 5.6103 2.6024 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3546 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 1.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 0.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.3695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.8581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2601 -0.1686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0327 -2.8744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.9075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 0.7013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2816 -0.3748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6783 -0.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 -1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6388 -2.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4296 -3.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2956 -3.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6275 -1.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 3.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5636 -3.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2956 -4.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5636 -4.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4296 -5.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 0.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 3.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 4.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 3.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 5.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 4.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 1.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 0.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -1.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -1.8133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 0.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 1.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.4480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -1.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6742 -0.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6393 -3.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0266 -3.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8326 -4.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0266 -4.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4296 -5.6615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 1.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 2.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 4.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 3.7569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 5.6308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 5.2967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 25 1 0 0 0 0 2 16 2 0 0 0 0 5 33 2 0 0 0 0 13 6 1 1 0 0 0 6 16 1 0 0 0 0 6 45 1 0 0 0 0 11 7 1 1 0 0 0 7 46 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 48 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 50 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 19 1 0 0 0 0 17 23 2 0 0 0 0 18 20 1 0 0 0 0 18 24 2 0 0 0 0 19 22 1 0 0 0 0 19 27 2 0 0 0 0 20 26 2 0 0 0 0 21 47 1 0 0 0 0 22 28 2 0 0 0 0 23 49 1 0 0 0 0 24 29 1 0 0 0 0 24 51 1 0 0 0 0 25 34 2 0 0 0 0 25 35 1 0 0 0 0 26 30 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 59 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 37 2 0 0 0 0 35 62 1 0 0 0 0 36 38 2 0 0 0 0 36 63 1 0 0 0 0 37 38 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 M END > 10962474 > 1 > 905 > 5 > 5 > 10 > AAADceB7uABAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAAAFgB/gAAHgQQQAAADCjB3gY9wfLJkAKoAzV31HDCgDAxAiAI2bm4ZJiIYPLAkZGUIAholwLIyAcYicCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (2R)-2-(benzenesulfonamido)-N-[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide > (2R)-2-(benzenesulfonamido)-N-[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide > (2R)-2-(benzenesulfonamido)-N-[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide > (2R)-2-(benzenesulfonamido)-N-[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide > (2R)-N-[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanamide > (2R)-2-(benzenesulfonamido)-N-[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propionamide > InChI=1S/C28H27N5O4S/c34-18-31-27(15-20-17-30-25-13-7-5-11-23(20)25)32-28(35)26(33-38(36,37)21-8-2-1-3-9-21)14-19-16-29-24-12-6-4-10-22(19)24/h1-13,16-18,26-27,29-30,33H,14-15H2,(H,31,34)(H,32,35)/t26-,27-/m1/s1 > LDEGMIZGQNMJOM-KAYWLYCHSA-N > 3.9 > 529.17837553 > C28H27N5O4S > 529.6 > C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)NC=O > C1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)NC=O > 144 > 529.17837553 > 0 > 38 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 22 8 10 23 8 14 18 8 14 21 8 17 19 8 17 23 8 18 20 8 18 24 8 19 22 8 19 27 8 20 26 8 22 28 8 24 29 8 25 34 8 25 35 8 26 30 8 27 31 8 28 32 8 29 30 8 31 32 8 34 36 8 35 37 8 36 38 8 37 38 8 13 6 5 11 7 5 8 20 8 8 21 8 $$$$