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LSM-5621

PropertiesImage
MNX_IDMNXM530504 Image of MNXM530504
referencechebi:94648
formulaC15H18N4O5
global charge0
mol weight334.332
InChIKeyNWIBSHFKIJFRCO-CDOIZDJWSA-N
InChIInChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15+/m1/s1
SMILESCO[C@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
MNX internals
InChI (mnx)InChI=1/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15+/m1/s1 Image of MNXM530504
SMILES (mnx)[CH3:1][C:5]1=[C:9]([NH2:16])[C:12](=[O:21])[C:8]2=[C:10]([C:11]1=[O:20])[N:19]1[CH2:3][C@H:7]3[C@@H:13]([C@@:15]1([O:23][CH3:2])[C@@H:6]2[CH2:4][O:24][C:14](=[NH:17])[OH:22])[NH:18]3
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:94648
chebi:94648
NWIBSHFKIJFRCO-CDOIZDJWSA-N 		LSM-5621