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LSM-6402

PropertiesImage
MNX_IDMNXM530547 Image of MNXM530547
referencechebi:95134
formulaC21H32N4O6
global charge0
mol weight436.509
InChIKeyGNYCTMYOHGBSBI-SUDYOERFSA-N
InChIInChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13-,14-,15?,17-/m0/s1
SMILESC[C@@H]1NC(=O)C2CCCN2C(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@H](C)NC1=O
MNX internals
InChI (mnx)InChI=1/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13-,14-,15?,17-/m0/s1 Image of MNXM530547
SMILES (mnx)[CH3:1][C@H:12]1[C:18]([OH:27])=[N:22][C@@H:13]([CH3:2])[C:19]([OH:28])=[N:24][C@@H:14]([CH2:7][CH2:4][CH2:3][CH2:5][CH2:9][C:16]([C@@H:17]2[CH2:11][O:31]2)=[O:26])[C:21](=[O:30])[N:25]2[CH2:10][CH2:6][CH2:8][CH:15]2[C:20]([OH:29])=[N:23]1
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:95134
chebi:95134
GNYCTMYOHGBSBI-SUDYOERFSA-N 		LSM-6402