(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-7-(tert-butoxycarbonylamino)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid CAS Name: (3S)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-7-(tert-butoxycarbonylamino)-1-keto-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(CC(NC2=O)C(=O)O)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C[C@H](NC2=O)C(=O)O)C=C1

InChI

InChI=1S/C15H18N2O5/c1-15(2,3)22-14(21)16-9-5-4-8-6-11(13(19)20)17-12(18)10(8)7-9/h4-5,7,11H,6H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)/t11-/m0/s1