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KT 5720

PropertiesImage
MNX_IDMNXM157008 Image of MNXM157008
referencechebi:85085
formulaC32H31N3O5
global charge0
mol weight537.616
InChIKeyZHEHVZXPFVXKEY-RUAOOFDTSA-N
InChIInChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
SMILESCCCCCCOC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)N1C3=CC=CC=C3C3=C4CNC(=O)C4=C4C5=C(C=CC=C5)N2C4=C31
MNX internals
InChI (mnx)InChI=1/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1 Image of MNXM157008
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:10][CH2:15][O:39][C:30]([C@:32]1([OH:38])[CH2:16][C@H:23]2[N:34]3[C:21]4=[CH:13][CH:8]=[CH:6][CH:11]=[C:18]4[C:25]4=[C:26]5[C:20](=[C:24]6[C:19]7=[CH:12][CH:7]=[CH:9][CH:14]=[C:22]7[N:35]([C:28]6=[C:27]43)[C@:31]1([CH3:2])[O:40]2)[CH2:17][N:33]=[C:29]5[OH:36])=[O:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85085
chebi:85085
ZHEHVZXPFVXKEY-RUAOOFDTSA-N 		KT 5720
(9R,10S,12S)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo[1,2,3-fg:3',2',1'-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid hexyl ester
KT-5720
KT5720
antibiotic KT 5720
hexyl (5R,6S,8S)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate