70658059 -OEChem-05052411532D 83 84 0 1 0 0 0 0 0999 V2000 7.7331 0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -7.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -10.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -8.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -8.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -9.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 8.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 7.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 7.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 9.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 9.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 9.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 10.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 10.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 11.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -6.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -5.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -5.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -6.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -3.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -4.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -7.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -6.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 2.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 3.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -9.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -8.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -8.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -9.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -10.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -9.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -11.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -10.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 7.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 7.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 9.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 9.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 10.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 10.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 11.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 25 2 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 3 59 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 4 62 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 5 63 1 0 0 0 0 11 6 1 6 0 0 0 6 64 1 0 0 0 0 6 65 1 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 7 70 1 0 0 0 0 8 24 1 0 0 0 0 8 73 1 0 0 0 0 8 74 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 20 1 0 0 0 0 11 42 1 0 0 0 0 12 21 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 19 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 23 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 24 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 75 1 0 0 0 0 28 31 2 0 0 0 0 28 76 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 79 1 0 0 0 0 34 36 2 0 0 0 0 34 80 1 0 0 0 0 35 37 2 0 0 0 0 35 81 1 0 0 0 0 36 37 1 0 0 0 0 36 82 1 0 0 0 0 37 83 1 0 0 0 0 M END > 70658059 > 1 > 591 > 6 > 6 > 20 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADCjBmAQwAILAAACIAiFSEACCAAAkAAAIiIGIBMgIYDKA1RGUIQhglgCIiYcYiMCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxo-hexyl]-4-phenyl-benzamide > N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide > N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide > N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide > N-[(5S)-5-azanyl-6-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-6-oxidanylidene-hexyl]-4-phenyl-benzamide > N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-keto-hexyl]-4-phenyl-benzamide > InChI=1S/C29H46N6O2/c30-17-8-20-32-18-6-7-19-33-21-9-23-35-29(37)27(31)12-4-5-22-34-28(36)26-15-13-25(14-16-26)24-10-2-1-3-11-24/h1-3,10-11,13-16,27,32-33H,4-9,12,17-23,30-31H2,(H,34,36)(H,35,37)/t27-/m0/s1 > ZXAJBAHPOBNRDS-MHZLTWQESA-N > 2 > 510.36822473 > C29H46N6O2 > 510.7 > C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCC(C(=O)NCCCNCCCCNCCCN)N > C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCC[C@@H](C(=O)NCCCNCCCCNCCCN)N > 134 > 510.36822473 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 26 27 8 26 28 8 27 30 8 28 31 8 29 30 8 29 31 8 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 11 6 6 $$$$