Marvin 06141310222D 42 46 0 0 1 0 999 V2000 9.4775 -6.2126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2186 -5.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9644 -6.2091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1508 -7.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2976 -7.0231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6432 -7.6593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8173 -7.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4616 -8.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0130 -8.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4827 -7.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2458 -8.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8454 -5.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0709 -6.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 -5.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6681 -5.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5479 -6.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 -7.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 -6.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4481 -8.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2107 -8.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7762 -9.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5739 -9.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8114 -8.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6026 -5.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3625 -5.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4892 -6.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2588 -7.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9010 -6.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7744 -5.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0047 -5.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9461 -7.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1963 -7.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6510 -8.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9009 -9.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7068 -9.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2520 -8.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0021 -8.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2162 -5.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6571 -6.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3144 -6.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 -6.9460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1052 -6.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 4 6 1 0 0 0 0 2 3 1 0 0 0 0 5 7 1 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 6 9 1 6 0 0 0 5 10 1 1 0 0 0 10 11 1 0 0 0 0 1 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 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 2 0 0 0 0 13 18 1 0 0 0 0 11 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 11 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 4 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 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 32 37 1 0 0 0 0 2 38 2 0 0 0 0 28 39 1 0 0 0 0 39 40 1 0 0 0 0 16 41 1 0 0 0 0 41 42 1 0 0 0 0 M END > CHEBI:42082 > (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one > A 1,3-diazepanone ring with two 4-(hydroxymethyl)benzyl groups as substituents at positions N-1 and N-4, two benzyl groups at C-4 and C-7, and two hydroxy groups at C-5 and C-6 respectively. > 3 > Dmp 323; [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE > (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one > C35H38N2O5 > 566.68660 > 566.27807 > 0 > OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 > InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1 > XCVGQMUMMDXKCY-WZJLIZBTSA-N > 151867-81-1 > 7401291 > 151867-81-1 > C15662 > DMP $$$$