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TMC-52B

PropertiesImage
MNX_IDMNXM113586 Image of MNXM113586
referencechebi:66239
formulaC20H30N4O6
global charge0
mol weight422.482
InChIKeyMQQOZPYNKMAOLT-GTPINHCMSA-N
InChIInChI=1S/C20H30N4O6/c21-8-3-10-22-9-1-2-11-23-18(26)15(12-13-4-6-14(25)7-5-13)24-19(27)16-17(30-16)20(28)29/h4-7,15-17,22,25H,1-3,8-12,21H2,(H,23,26)(H,24,27)(H,28,29)/t15-,16?,17?/m0/s1
SMILESNCCCNCCCCNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C1OC1C(=O)O
MNX internals
InChI (mnx)InChI=1/C20H30N4O6/c21-8-3-10-22-9-1-2-11-23-18(26)15(12-13-4-6-14(25)7-5-13)24-19(27)16-17(30-16)20(28)29/h4-7,15-17,22,25H,1-3,8-12,21H2,(H,23,26)(H,24,27)(H,28,29)/t15-,16?,17?/m0/s1 Image of MNXM113586
SMILES (mnx)[CH2:1]([CH2:2][CH2:11][N:23]=[C:18]([C@H:15]([CH2:12][C:13]1=[CH:5][CH:7]=[C:14]([OH:25])[CH:6]=[CH:4]1)[N:24]=[C:19]([CH:16]1[CH:17]([C:20](=[O:28])[OH:29])[O:30]1)[OH:27])[OH:26])[CH2:9][NH:22][CH2:10][CH2:3][CH2:8][NH2:21]
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:66239
chebi:66239
MQQOZPYNKMAOLT-GTPINHCMSA-N 		TMC-52B
(2R*,3R*)-3-{[(2S)-1-({4-[(3-aminopropyl)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid