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largamide G

PropertiesImageOccurences in reactions
MNX_IDMNXM106067Image of MNXM106067
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC60H82BrN9O18
charge0
mass1295.49612
referencechebi:66552
InChIKeyTUWXFKMBPYEGHC-BYVKOCPSSA-N
InChIInChI=1S/C60H82BrN9O18/c1-29(2)47(66-51(78)31(5)62-52(79)40(63-55(82)45(76)28-71)11-9-10-34-12-18-37(73)19-13-34)56(83)68-49-33(7)88-60(87)48(30(3)4)67-54(81)43(27-36-17-24-44(75)39(61)26-36)69(8)59(86)50(32(6)72)70-46(77)25-23-42(58(70)85)65-53(80)41(64-57(49)84)22-16-35-14-20-38(74)21-15-35/h12-15,17-21,24,26,29-33,40-43,45-50,71-77H,9-11,16,22-23,25,27-28H2,1-8H3,(H,62,79)(H,63,82)(H,64,84)(H,65,80)(H,66,78)(H,67,81)(H,68,83)/t31-,32-,33+,40-,41-,42-,43-,45+,46+,47-,48-,49-,50-/m0/s1
SMILESCC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCc1ccc(O)cc1)NC(=O)[C@H](O)CO)C(=O)N[C@@H]1C(=O)N[C@@H](CCc2ccc(O)cc2)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@H](C)O)C(=O)N(C)[C@@H](Cc2ccc(O)c(Br)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C
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IdentifierDescription
CHEBI:66552
chebi:66552
largamide G
N-[(2R)-2,3-dihydroxypropanoyl]-5-(4-hydroxyphenyl)-L-norvalyl-L-alanyl-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-(3-bromo-4-hydroxybenzyl)-21-hydroxy-2-[(1S)-1-hydroxyethyl]-4,11-dimethyl-15-[2-(4-hydroxyphenyl)ethyl]-3,6,9,13,16,22-hexaoxo-8-(propan-2-yl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-L-valinamide