Mrv0541 09121202162D 65 70 0 0 0 0 999 V2000 0.9283 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4636 -1.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4636 -1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9283 -1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 -3.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -3.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 -3.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -2.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 -2.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7116 -2.7580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -2.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1136 -2.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -2.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 -1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 -0.7473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5982 0.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9283 0.4895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -0.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -0.8503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 -1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -1.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 -1.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2377 -0.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 -0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 0.7988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 -0.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 0.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7325 0.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 0.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 1.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 1.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7325 1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1335 1.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 2.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 3.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 3.3248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 1.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 2.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 3.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 3.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1335 2.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5463 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7835 1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6082 1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 2.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3504 3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 3.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7423 3.8922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1754 3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6393 2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 2.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5158 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2377 3.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 -2.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0832 -2.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 23 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 64 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 39 50 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 45 2 0 0 0 0 43 44 2 0 0 0 0 44 47 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 55 1 0 0 0 0 52 53 1 0 0 0 0 53 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 59 1 0 0 0 0 58 59 1 0 0 0 0 58 62 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 64 65 1 0 0 0 0 M END > CHEM033846 > chemdb > CCC(C)C1NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC1=O)C(O)=O)C1=C2C=CC=C1)C(C)C > InChI=1S/C45H57N9O11/c1-5-24(4)37-42(61)49-31(45(64)65)20-26-22-54(32-10-7-6-9-28(26)32)38(43(62)51-36(23(2)3)41(60)46-21-35(57)50-37)52-39(58)30(19-25-12-14-27(55)15-13-25)48-40(59)33-11-8-18-53(33)44(63)29-16-17-34(56)47-29/h6-7,9-10,12-15,22-24,29-31,33,36-38,55H,5,8,11,16-21H2,1-4H3,(H,46,60)(H,47,56)(H,48,59)(H,49,61)(H,50,57)(H,51,62)(H,52,58)(H,64,65) > HAUPTKIUBJOOOL-UHFFFAOYSA-N > C45H57N9O11 > 899.9878 > 899.417753711 > 11 > 90.4974496581371 > 0 > 9 > 0 > 0 > 11-(butan-2-yl)-2-[3-(4-hydroxyphenyl)-2-{[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-3,6,9,12-tetraoxo-5-(propan-2-yl)-1,4,7,10,13-pentaazatricyclo[14.6.1.0¹⁷,²²]tricosa-16(23),17(22),18,20-tetraene-14-carboxylic acid > 1.76 > 0.27075637099999694 > -4.37 > 1 > 6 > -1 > 9.46072513161373 > 3.7914719163823527 > -5.9583315868517674 > 286.4699999999999 > 230.60230000000004 > 11 > 0 > 3.84e-02 g/l > 2-[3-(4-hydroxyphenyl)-2-{[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-5-isopropyl-3,6,9,12-tetraoxo-11-(sec-butyl)-1,4,7,10,13-pentaazatricyclo[14.6.1.0¹⁷,²²]tricosa-16(23),17(22),18,20-tetraene-14-carboxylic acid > 0 > Lyciumin D > 150415-40-0 $$$$