Mrv1652303102016472D 70 71 0 0 1 0 999 V2000 5.2821 -8.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9978 -8.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 -9.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2872 -9.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7161 -9.8122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4294 -9.3974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1451 -9.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1477 -10.6327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -9.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8557 -8.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -8.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1374 -7.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -6.9225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4191 -6.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7033 -5.6872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1322 -5.6828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 -9.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2872 -9.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2846 -8.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0029 -9.7988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7161 -9.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7135 -8.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4267 -8.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0737 -8.5153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7183 -8.1404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3653 -8.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7160 -7.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0172 -10.6462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7330 -11.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4461 -10.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7355 -11.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0224 -12.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3066 -11.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3041 -11.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5935 -12.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4513 -12.2918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4539 -13.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7407 -13.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1696 -13.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1722 -14.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8880 -14.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6011 -14.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3169 -14.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3194 -15.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6063 -15.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8905 -15.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8828 -13.1123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8802 -12.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1645 -11.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5934 -11.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5908 -11.0476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3040 -10.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3014 -9.8079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0197 -11.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7329 -10.6284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4487 -11.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4513 -11.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1619 -10.6240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1593 -9.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8776 -11.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5908 -10.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3065 -11.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0197 -10.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0171 -9.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7303 -9.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3013 -9.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5882 -9.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7188 -10.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0055 -11.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4345 -11.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 68 1 6 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 7 1 1 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 1 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 47 1 6 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 46 2 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 1 1 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 67 2 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 2 0 0 0 0 66 67 1 0 0 0 0 68 69 1 0 0 0 0 68 70 2 0 0 0 0 M END > CHEM041032 > chemdb > CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(O)=O > InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/t27-,31-,32+,33+,34?,35+,38-/m0/s1 > WRPLGMBDXVBPEG-PUGOIMMUSA-N > C46H72N14O10 > 981.1517 > 980.555584594 > 17 > 142 > 103.70653007976495 > 0 > 16 > 0 > 0 > (2S,3S)-2-[(2R)-2-[(2R)-2-{2-[(2R)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid > -1.61 > -5.468164680096957 > -4.64 > 0 > 2 > 2 > 9.507780639073777 > 3.559637176412647 > 12.177386934436287 > 411.04999999999995 > 277.9320000000002 > 31 > 0 > 2.23e-02 g/l > (2S,3S)-2-[(2R)-2-[(2R)-2-{2-[(2R)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-methylpentanamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-methylpentanoic acid > 0 > Dynorphin A 1-8 > 75790-53-3 $$$$