44201870 -OEChem-04192421502D 84 86 0 1 0 0 0 0 0999 V2000 3.5000 -0.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1924 3.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 -3.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8766 -0.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0517 1.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 2.0977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9879 -4.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7840 -2.0558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -1.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3228 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7247 0.8801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0526 -2.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5908 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4659 -2.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.2106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -1.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3228 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9044 -1.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7588 0.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6358 -1.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8119 -3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3991 4.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5154 -2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9601 -3.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 4.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0078 4.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7903 3.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3672 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5432 -3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2468 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4228 -3.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 -2.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7275 -1.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 1.1544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8267 -0.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7045 -0.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6675 -2.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4642 -2.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 -0.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -0.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -1.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -0.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 1.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1415 2.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8598 0.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 1.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1226 -2.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0209 -1.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2242 -1.0683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0400 -3.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4192 -2.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.5397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3527 -3.7040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 5.1812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1139 5.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2283 4.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4997 4.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3853 5.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 5.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 3.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4129 2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2822 2.9098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3499 -0.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0151 -3.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7749 -1.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4401 -4.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 -4.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8200 -3.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 20 2 0 0 0 0 5 22 2 0 0 0 0 6 27 2 0 0 0 0 7 31 1 0 0 0 0 7 83 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 58 1 0 0 0 0 9 20 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 1 0 0 0 10 15 1 0 0 0 0 10 43 1 0 0 0 0 11 19 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 1 0 0 0 12 22 1 0 0 0 0 12 44 1 0 0 0 0 13 20 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 21 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 6 0 0 0 16 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 27 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 2 0 0 0 0 19 56 1 0 0 0 0 21 57 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 31 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 32 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 28 37 2 0 0 0 0 28 38 1 0 0 0 0 29 35 1 0 0 0 0 29 63 1 0 0 0 0 30 36 2 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 34 75 1 0 0 0 0 35 39 2 0 0 0 0 35 76 1 0 0 0 0 36 39 1 0 0 0 0 36 77 1 0 0 0 0 37 40 1 0 0 0 0 37 78 1 0 0 0 0 38 41 2 0 0 0 0 38 79 1 0 0 0 0 39 80 1 0 0 0 0 40 42 2 0 0 0 0 40 81 1 0 0 0 0 41 42 1 0 0 0 0 41 82 1 0 0 0 0 42 84 1 0 0 0 0 M END > 44201870 > 1 > 916 > 7 > 2 > 11 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADVThmAYyCIPABgCIAiHSGACCAAAgAAAIiIEIDIgKNjKAsRmHMAhk1gGYqAffwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > tert-butyl 2-[(2S,6S,8Z,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetate > 2-[(2S,6S,8Z,11R)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxoethyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid tert-butyl ester > tert-butyl 2-[(2S,6S,8Z,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetate > tert-butyl 2-[(2S,6S,8Z,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetate > tert-butyl 2-[(2S,6S,8Z,11R)-6-[2-[2-hydroxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-5,12-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]ethanoate > 2-[(2S,6S,8Z,11R)-6-[2-[benzyl(2-hydroxyethyl)amino]-2-keto-ethyl]-5,12-diketo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetic acid tert-butyl ester > InChI=1S/C33H42N2O7/c1-33(2,3)42-30(38)21-27-17-11-10-16-26(20-29(37)35(18-19-36)23-24-12-6-4-7-13-24)31(39)34-22-28(41-32(27)40)25-14-8-5-9-15-25/h4-15,26-28,36H,16-23H2,1-3H3,(H,34,39)/b11-10-/t26-,27+,28+/m0/s1 > CPRMAVMOQLKVPF-IAPWYIPISA-N > 3.1 > 578.29920168 > C33H42N2O7 > 578.7 > CC(C)(C)OC(=O)CC1CC=CCC(C(=O)NCC(OC1=O)C2=CC=CC=C2)CC(=O)N(CCO)CC3=CC=CC=C3 > CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](C(=O)NC[C@@H](OC1=O)C2=CC=CC=C2)CC(=O)N(CCO)CC3=CC=CC=C3 > 122 > 578.29920168 > 0 > 42 > 3 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 5 12 18 5 16 23 6 23 29 8 23 30 8 28 37 8 28 38 8 29 35 8 30 36 8 35 39 8 36 39 8 37 40 8 38 41 8 40 42 8 41 42 8 $$$$