3-[3-(3-azanylpropyl)-4-oxidanylidene-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid

Systemtic Name: 3-[3-(3-azanylpropyl)-4-oxidanylidene-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Openeye Name: 3-[3-(3-aminopropyl)-4-oxo-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid CAS Name: 3-[3-(3-aminopropyl)-4-oxo-1-benzopyran-6-yl]-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[3-(3-aminopropyl)-4-oxochromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Traditional Name: 3-[3-(3-aminopropyl)-4-keto-chromen-6-yl]-2-(neopentyloxycarbonylamino)propionic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC=C(C2=O)CCCN)C(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC=C(C2=O)CCCN)C(=O)O

InChI

InChI=1S/C21H28N2O6/c1-21(2,3)12-29-20(27)23-16(19(25)26)10-13-6-7-17-15(9-13)18(24)14(11-28-17)5-4-8-22/h6-7,9,11,16H,4-5,8,10,12,22H2,1-3H3,(H,23,27)(H,25,26)