22862423 -OEChem-04262405432D 80 85 0 1 0 0 0 0 0999 V2000 5.6151 3.5631 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 2.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8061 4.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -2.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -3.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 2.7541 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5274 -0.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -3.2847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -3.4826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -5.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 2.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -2.2847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2029 4.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 4.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 5.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -3.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0332 -1.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -4.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 5.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 6.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 -3.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3785 5.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7011 -2.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 -4.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 -4.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3439 -0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6796 -2.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3224 -0.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9902 -1.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 1.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 0.6076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 1.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6464 1.2661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 2.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -0.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 -0.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 4.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 -2.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 3.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6579 -1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8609 -1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9303 -3.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4496 3.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 5.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4018 5.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 6.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 -3.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7429 6.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4505 -4.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 -4.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9074 -4.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 -5.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 -5.4047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1474 -4.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 -4.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9298 -0.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -6.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 -6.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0936 -2.8792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5150 -0.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5969 -1.3393 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 6 1 0 0 0 0 1 25 1 0 0 0 0 4 21 2 0 0 0 0 5 30 2 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 22 8 1 1 0 0 0 8 30 1 0 0 0 0 8 61 1 0 0 0 0 9 35 1 0 0 0 0 9 37 1 0 0 0 0 9 68 1 0 0 0 0 10 32 1 0 0 0 0 10 76 1 0 0 0 0 10 77 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 2 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 22 56 1 0 0 0 0 23 24 2 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 33 1 0 0 0 0 27 62 1 0 0 0 0 28 34 2 0 0 0 0 28 63 1 0 0 0 0 29 31 1 0 0 0 0 29 35 2 0 0 0 0 30 32 1 0 0 0 0 31 37 1 0 0 0 0 31 40 2 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 33 36 2 0 0 0 0 33 64 1 0 0 0 0 34 36 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 37 41 2 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 42 1 0 0 0 0 40 75 1 0 0 0 0 41 43 1 0 0 0 0 41 78 1 0 0 0 0 42 43 2 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 M END > 22862423 > 1 > 1120 > 6 > 3 > 7 > AAADcfB/uABAAAAAAAAAAAAAAAAAAWLAAAA8YMEAAAAAAFgB9AAAHgQQQAAADqjB3gQ+wfPJkAKoAzV3VHDCgDAxAiAI2bm4ZJgIYPLAkbGUIAhglgDIyAcYicCPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > 2-amino-N-[(1R)-2-[1-(benzenesulfonyl)spiro[indoline-3,4'-piperidine]-1'-yl]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-methyl-propanamide > 2-amino-N-[(2R)-1-[1-(benzenesulfonyl)-1'-spiro[2H-indole-3,4'-piperidine]yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide > 2-amino-N-[(2R)-1-[1-(benzenesulfonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide > 2-amino-N-[(2R)-1-[1-(benzenesulfonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide > 2-azanyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-[1-(phenylsulfonyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]propan-2-yl]-2-methyl-propanamide > 2-amino-N-[(1R)-2-(1-besylspiro[indoline-3,4'-piperidine]-1'-yl)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-methyl-propionamide > InChI=1S/C33H37N5O4S/c1-32(2,34)31(40)36-28(20-23-21-35-27-14-8-6-12-25(23)27)30(39)37-18-16-33(17-19-37)22-38(29-15-9-7-13-26(29)33)43(41,42)24-10-4-3-5-11-24/h3-15,21,28,35H,16-20,22,34H2,1-2H3,(H,36,40)/t28-/m1/s1 > KMJYYKLCENIDIT-MUUNZHRXSA-N > 3.6 > 599.25662585 > C33H37N5O4S > 599.7 > CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CN(C5=CC=CC=C45)S(=O)(=O)C6=CC=CC=C6)N > CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC4(CC3)CN(C5=CC=CC=C45)S(=O)(=O)C6=CC=CC=C6)N > 137 > 599.25662585 > 0 > 43 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 18 8 15 19 8 18 20 8 19 23 8 20 24 8 23 24 8 25 27 8 25 28 8 27 33 8 28 34 8 29 31 8 29 35 8 31 37 8 31 40 8 33 36 8 34 36 8 37 41 8 40 42 8 41 43 8 42 43 8 22 8 5 9 35 8 9 37 8 $$$$