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JBIR-56

PropertiesImage
MNX_IDMNXM105888 Image of MNXM105888
referencechebi:69920
formulaC19H30N4O5
global charge0
mol weight394.472
InChIKeyXNVDHFYDNXAOFB-WCQYABFASA-N
InChIInChI=1S/C19H30N4O5/c1-7-12-15(23-14(10(4)5)17(25)21-12)18(26)22-13(8-9(2)3)16(24)20-11(6)19(27)28/h9-11,13H,7-8H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)(H,27,28)/t11-,13+/m0/s1
SMILESCCC1=C(C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)N=C(C(C)C)C(=O)N1
MNX internals
InChI (mnx)InChI=1/C19H30N4O5/c1-7-12-15(23-14(10(4)5)17(25)21-12)18(26)22-13(8-9(2)3)16(24)20-11(6)19(27)28/h9-11,13H,7-8H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)(H,27,28)/t11-,13+/m0/s1 Image of MNXM105888
SMILES (mnx)[CH3:1][CH2:7][C:12]1=[C:15]([C:18](=[N:22][C@H:13]([CH2:8][CH:9]([CH3:2])[CH3:3])[C:16](=[N:20][C@@H:11]([CH3:6])[C:19](=[O:27])[OH:28])[OH:24])[OH:26])[N:23]=[C:14]([CH:10]([CH3:4])[CH3:5])[C:17](=[O:25])[NH:21]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:69920
chebi:69920
XNVDHFYDNXAOFB-WCQYABFASA-N 		JBIR-56
N-[(3-Ethyl-6-isopropyl-5-oxo-4,5-dihydro-2-pyrazinyl)carbonyl]-D-leucyl-L-alanine