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0 0 0 0 0 0 0 0 0 0 0 0 2.8222 -6.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 -5.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 -5.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7082 -4.4442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 -2.2146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7036 -1.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 -0.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7661 -0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1786 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9991 -1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1706 -2.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4562 -2.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8431 -2.2538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 -0.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 0.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 1.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7661 0.6433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2511 1.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0357 1.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0357 0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7031 -0.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2511 -0.0241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8263 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4138 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8263 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5888 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9496 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5371 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9496 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7121 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -8.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7143 -8.5512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -10.2012 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 8 1 1 0 0 0 9 10 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 2 0 0 0 0 14 16 1 0 0 0 0 9 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 19 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 5 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 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 40 45 1 0 0 0 0 43 46 1 0 0 0 0 38 47 1 6 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 50 53 1 1 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 60 65 1 0 0 0 0 65 66 1 0 0 0 0 58 66 1 0 0 0 0 56 67 1 1 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 72 76 1 0 0 0 0 70 77 1 1 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 80 78 1 6 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 2 0 0 0 0 83 85 1 0 0 0 0 80 85 1 0 0 0 0 86 87 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 90 91 1 0 0 0 0 91 92 2 0 0 0 0 91 93 1 0 0 0 0 M END > DBSALT000983 > drugbank > O.O.O.O.CC(O)=O.CC(O)=O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC2=CC=CC=C2N1)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O > InChI=1S/C55H75N17O13.2C2H4O2.4H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)61-25-44(56)75)66-46(77)26-62-47(78)39(20-30-11-13-34(74)14-12-30)68-52(83)42(27-73)71-51(82)40(22-32-21-31-7-3-4-8-35(31)64-32)70-50(81)41(23-33-24-59-28-63-33)69-48(79)36-15-16-45(76)65-36;2*1-2(3)4;;;;/h3-4,7-8,11-14,21,24,28-29,36-43,64,73-74H,5-6,9-10,15-20,22-23,25-27H2,1-2H3,(H2,56,75)(H,59,63)(H,61,84)(H,62,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,79)(H,70,81)(H,71,82)(H4,57,58,60);2*1H3,(H,3,4);4*1H2/t36-,37-,38-,39-,40-,41-,42-,43-;;;;;;/m0....../s1 > QZBIKDNLZRFYMZ-KYOBJPNESA-N > C59H91N17O21 > 1374.475 > 1373.657543018 > 17 > 188 > 121.44761000367437 > 0 > 17 > 0 > 0 > (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-{2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-2-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamide bis(acetic acid) tetrahydrate > 0.03 > -6.2236554861434525 > -4.36 > 1 > 6 > 1 > 10.890104953912088 > 9.48556076204228 > 11.866785842858507 > 472.1299999999999 > 312.2203 > 31 > 0 > 5.19e-02 g/l > (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-2-(carbamoylmethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-{2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-2-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-4-methylpentanamide bis(acetic acid) tetrahydrate > 0 > DBSALT000983 > Gonadorelin diacetate tetrahydrate > DB00644 > Gonadorelin > L8CRY8PWF2 $$$$