Mrv0541 09121202162D 70 76 0 0 0 0 999 V2000 0.9627 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 -2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2066 -0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 -1.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -4.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -3.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7115 -4.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0174 -2.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -2.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1994 -2.8863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 -2.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7182 -0.7557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9627 0.4814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3432 -0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4605 -0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7043 -0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0174 -0.8930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 -0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 -1.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 -0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0174 0.8244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7043 0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4605 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2923 1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2923 2.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 2.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3232 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 0.4130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0617 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0617 1.6496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2613 2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 1.2370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3432 1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 3.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4433 3.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4433 2.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 2.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 3.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 3.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 2.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6491 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8863 1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8487 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0926 2.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5047 3.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0240 4.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9483 3.9865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3299 3.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8111 2.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6358 2.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7043 3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4605 4.1236 0.0000 O 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 25 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 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 39 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 38 2 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 46 57 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 52 2 0 0 0 0 50 51 2 0 0 0 0 51 54 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 56 57 2 0 0 0 0 57 58 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 1 0 0 0 0 63 64 2 0 0 0 0 63 66 1 0 0 0 0 65 66 1 0 0 0 0 65 69 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 M END > CHEM033847 > chemdb > CC(C)C1NC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C1=C2C=CC=C1 > InChI=1S/C49H57N9O12/c1-26(2)40-46(66)52-33(21-27-9-4-3-5-10-27)42(62)54-36(25-59)44(64)53-35(49(69)70)23-29-24-58(37-12-7-6-11-31(29)37)41(47(67)55-40)56-43(63)34(22-28-14-16-30(60)17-15-28)51-45(65)38-13-8-20-57(38)48(68)32-18-19-39(61)50-32/h3-7,9-12,14-17,24,26,32-36,38,40-41,59-60H,8,13,18-23,25H2,1-2H3,(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,62)(H,55,67)(H,56,63)(H,69,70) > JJVYOOBAXDVVNT-UHFFFAOYSA-N > C49H57N9O12 > 964.03 > 963.412668333 > 12 > 95.65326364382105 > 0 > 10 > 0 > 0 > 8-benzyl-11-(hydroxymethyl)-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 > 1.64 > 0.11687312799999976 > -4.48 > 1 > 7 > -1 > 9.446961705317896 > 3.6196462945916723 > -5.9583315868517674 > 306.69999999999993 > 247.66230000000007 > 12 > 0 > 3.20e-02 g/l > 8-benzyl-11-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)-2-{[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-5-isopropyl-3,6,9,12-tetraoxo-1,4,7,10,13-pentaazatricyclo[14.6.1.0¹⁷,²²]tricosa-16(23),17(22),18,20-tetraene-14-carboxylic acid > 0 > Lyciumin C > 150394-23-3 $$$$