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1-[3-methyl-2-[2-(methylamino)propanoylamino]pentanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

PropertiesImage
MNX_IDMNXM340977 Image of MNXM340977
referencechebi:91705
formulaC25H38N4O3
global charge0
mol weight442.604
InChIKeyUZKQKLOUKVAGDI-UHFFFAOYSA-N
InChIInChI=1S/C25H38N4O3/c1-5-16(2)22(28-23(30)17(3)26-4)25(32)29-15-9-14-21(29)24(31)27-20-13-8-11-18-10-6-7-12-19(18)20/h6-7,10,12,16-17,20-22,26H,5,8-9,11,13-15H2,1-4H3,(H,27,31)(H,28,30)
SMILESCCC(C)C(NC(=O)C(C)NC)C(=O)N1CCCC1C(=O)NC1CCCC2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C25H38N4O3/c1-5-16(2)22(28-23(30)17(3)26-4)25(32)29-15-9-14-21(29)24(31)27-20-13-8-11-18-10-6-7-12-19(18)20/h6-7,10,12,16-17,20-22,26H,5,8-9,11,13-15H2,1-4H3,(H,27,31)(H,28,30)/t16?,17?,20?,21?,22? Image of MNXM340977
SMILES (mnx)[CH3:1][CH2:5][CH:16]([CH3:2])[CH:22]([C:25]([N:29]1[CH2:15][CH2:9][CH2:14][CH:21]1[C:24](=[N:27][CH:20]1[CH2:13][CH2:8][CH2:11][C:18]2=[CH:10][CH:6]=[CH:7][CH:12]=[C:19]21)[OH:31])=[O:32])[N:28]=[C:23]([CH:17]([CH3:3])[NH:26][CH3:4])[OH:30]
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:91705
chebi:91705
UZKQKLOUKVAGDI-UHFFFAOYSA-N
1-[3-methyl-2-[2-(methylamino)propanoylamino]pentanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide