4-[(1S)-2-azanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[(1S)-2-azanyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[(1S)-2-amino-1-(tert-butoxycarbonylamino)-2-oxo-ethyl]benzoic acid CAS Name: 4-[(1S)-2-amino-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[(1S)-2-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[(1S)-2-amino-1-(tert-butoxycarbonylamino)-2-keto-ethyl]benzoic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C(=O)O)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=C(C=C1)C(=O)O)C(=O)N

InChI

InChI=1S/C14H18N2O5/c1-14(2,3)21-13(20)16-10(11(15)17)8-4-6-9(7-5-8)12(18)19/h4-7,10H,1-3H3,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1