3-[[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-4-oxidanylidene-quinolizin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-4-oxidanylidene-quinolizin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[7-[3-(tert-butoxycarbonylamino)propoxy]-4-oxo-quinolizine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]-4-oxo-2-quinolizinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-4-oxoquinolizine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[7-[3-(tert-butoxycarbonylamino)propoxy]-4-keto-quinolizine-2-carbonyl]amino]propionic acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCCC(=O)O)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=CN2C(=CC(=CC2=O)C(=O)NCCC(=O)O)C=C1

InChI

InChI=1S/C21H27N3O7/c1-21(2,3)31-20(29)23-8-4-10-30-16-6-5-15-11-14(12-17(25)24(15)13-16)19(28)22-9-7-18(26)27/h5-6,11-13H,4,7-10H2,1-3H3,(H,22,28)(H,23,29)(H,26,27)