(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(phenethylamino)butanoic acid

Systemtic Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(phenethylamino)butanoic acid Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-4-oxo-4-(phenethylamino)butanoic acid CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-(phenethylamino)butanoic acid IUPAC Name: (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(phenethylamino)butanoic acid Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-keto-4-(phenethylamino)butyric acid Formula: C17H24N2O5 MolecularWeight: 336.38286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O5/c1-17(2,3)24-16(23)19-13(11-14(20)21)15(22)18-10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t13-/m0/s1