Ala-Pro-7-Amino-4-methylcoumarin

Properties Image MNX_ID MNXM166919 reference sabiorkM:24664 formula C18H21N3O4 global charge 0 mol weight 343.383 InChIKey KWBQMDXXCSNTMD-UHFFFAOYSA-N InChI InChI=1S/C18H21N3O4/c1-10-8-16(22)25-15-9-12(5-6-13(10)15)20-17(23)14-4-3-7-21(14)18(24)11(2)19/h5-6,8-9,11,14H,3-4,7,19H2,1-2H3,(H,20,23) SMILES CC1=CC(=O)OC2=C1C=CC(N=C(O)C1CCCN1C(=O)C(C)N)=C2 MNX internals InChI (mnx) InChI=1/C18H21N3O4/c1-10-8-16(22)25-15-9-12(5-6-13(10)15)20-17(23)14-4-3-7-21(14)18(24)11(2)19/h5-6,8-9,11,14H,3-4,7,19H2,1-2H3,(H,20,23)/t11?,14? SMILES (mnx) [CH3:1][C:10]1=[CH:8][C:16](=[O:22])[O:25][C:15]2=[C:13]1[CH:6]=[CH:5][C:12]([N:20]=[C:17]([CH:14]1[CH2:4][CH2:3][CH2:7][N:21]1[C:18]([CH:11]([CH3:2])[NH2:19])=[O:24])[OH:23])=[CH:9]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0