2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-1H-quinolin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-1H-quinolin-2-yl]amino]propanoic acid Openeye Name: 2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-1H-quinolin-2-yl]amino]propanoic acid CAS Name: 2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-1H-quinolin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1H-quinolin-2-yl]amino]propanoic acid Traditional Name: 2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-1H-quinolin-2-yl]amino]propionic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)C=C(N2)NC(C)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)C=C(N2)NC(C)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N3O5/c1-9-11(21-17(25)26-18(3,4)5)6-7-12-15(9)13(22)8-14(20-12)19-10(2)16(23)24/h6-8,10H,1-5H3,(H,21,25)(H,23,24)(H2,19,20,22)