Mrv1652309122217382D 28 32 0 0 1 0 999 V2000 2.0785 5.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 4.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 4.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3597 4.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 3.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0999 3.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 3.1826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 1.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0946 1.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6786 1.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9173 1.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 2.2397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4885 1.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0384 0.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 1.1301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 0.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 2.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 2.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9183 2.9846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0482 3.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 2.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6888 3.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 1.9448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 8 15 1 0 0 0 0 16 15 1 6 0 0 0 6 16 1 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 24 26 1 1 0 0 0 23 27 1 0 0 0 0 5 27 1 0 0 0 0 23 28 1 0 0 0 0 28 19 1 1 0 0 0 16 28 1 0 0 0 0 M END > NP0330368 > NP-MRD > COC(=O)C1=C2NC3=CC(OC)=CC=C3[C@@]22CCN3CC=C[C@](C1)([C@H](C)O)[C@@H]23 > InChI=1S/C22H26N2O4/c1-13(25)21-7-4-9-24-10-8-22(20(21)24)16-6-5-14(27-2)11-17(16)23-18(22)15(12-21)19(26)28-3/h4-7,11,13,20,23,25H,8-10,12H2,1-3H3/t13-,20-,21-,22-/m0/s1 > ASAFZNAXYPDIJR-PXAUIPFGSA-N > C22H26N2O4 > 382.46 > 382.189257325 > 5 > 54 > 41.363722217548236 > 1 > 2 > 0 > 1 > methyl (1R,12S,19R)-12-[(1S)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,9,13-pentaene-10-carboxylate > 1.1213814133333333 > 0 > 5 > 1 > 14.901557459384243 > 13.56383520946557 > 8.566305975589364 > 71.03 > 109.30350000000001 > 4 > 1 > methyl (1R,12S,19R)-12-[(1S)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6,9,13-pentaene-10-carboxylate > 0 > NP0330368 > methyl (1r,12s,19r)-12-[(1s)-1-hydroxyethyl]-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaene-10-carboxylate $$$$