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

Systemtic Name: 3-[2-(3-azanyl-3-azanylidene-propyl)-4-oxidanylidene-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Openeye Name: 3-[2-(3-amino-3-imino-propyl)-4-oxo-chromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid CAS Name: 3-[2-(3-amino-3-iminopropyl)-4-oxo-1-benzopyran-6-yl]-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[2-(3-amino-3-iminopropyl)-4-oxochromen-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid Traditional Name: 3-[2-(3-amino-3-imino-propyl)-4-keto-chromen-6-yl]-2-(neopentyloxycarbonylamino)propionic acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCC(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCC(=N)N)C(=O)O

InChI

InChI=1S/C21H27N3O6/c1-21(2,3)11-29-20(28)24-15(19(26)27)9-12-4-6-17-14(8-12)16(25)10-13(30-17)5-7-18(22)23/h4,6,8,10,15H,5,7,9,11H2,1-3H3,(H3,22,23)(H,24,28)(H,26,27)