Mrv0541 02241210272D 65 71 0 0 0 0 999 V2000 0.9406 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 -2.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 -1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 -1.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2177 -0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -1.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2437 -4.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 -3.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6916 -4.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9217 -2.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -2.8585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9674 -2.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -2.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -0.7595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6649 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.4707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 -0.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9217 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 -1.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6459 -0.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6459 0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9217 0.7601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 0.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 -0.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 0.3260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 0.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 1.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1981 1.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 1.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 1.1943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 2.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 3.5103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1577 2.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5919 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 1.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 2.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4739 3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 4.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8493 3.9445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2705 3.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 2.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5735 2.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6459 3.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3695 4.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7966 3.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 4.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8819 4.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 3.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 2.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 2.9315 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 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 46 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 65 1 0 0 0 0 43 44 1 0 0 0 0 44 60 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 51 1 0 0 0 0 48 49 1 0 0 0 0 49 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 55 1 0 0 0 0 54 55 1 0 0 0 0 54 58 1 0 0 0 0 55 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 60 61 1 0 0 0 0 60 65 2 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 M END > CHEM032021 > chemdb > CC(C)C1NC(=O)C(NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C2CCCN2C(=O)C2CCC(=O)N2)N2C=C(CC(NC(=O)C(CO)NC(=O)CNC1=O)C(O)=O)C1=C2C=CC=C1 > InChI=1S/C44H52N10O11/c1-22(2)36-41(61)46-19-35(57)48-31(21-55)39(59)50-30(44(64)65)17-24-20-54(32-11-6-4-9-26(24)32)37(42(62)51-36)52-38(58)29(16-23-18-45-27-10-5-3-8-25(23)27)49-40(60)33-12-7-15-53(33)43(63)28-13-14-34(56)47-28/h3-6,8-11,18,20,22,28-31,33,36-37,45,55H,7,12-17,19,21H2,1-2H3,(H,46,61)(H,47,56)(H,48,57)(H,49,60)(H,50,59)(H,51,62)(H,52,58)(H,64,65) > BWRVBFMWWHWLBW-UHFFFAOYSA-N > C44H52N10O11 > 896.9441 > 896.381702556 > 11 > 89.78583153915443 > 0 > 10 > 0 > 0 > 11-(hydroxymethyl)-2-[3-(1H-indol-3-yl)-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 > 0.99 > -1.7058901673333335 > -4.34 > 1 > 7 > -1 > 10.381917316151176 > 3.617383420486857 > 302.2599999999999 > 227.655 > 10 > 0 > 4.10e-02 g/l > 11-(hydroxymethyl)-2-[3-(1H-indol-3-yl)-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 B > 125756-66-3 $$$$