5-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]-5-oxidanylidene-4-(phenylcarbamoylamino)pentanoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]-5-oxidanylidene-4-(phenylcarbamoylamino)pentanoic acid Openeye Name: 5-(N-tert-butoxycarbonylanilino)-5-oxo-4-(phenylcarbamoylamino)pentanoic acid CAS Name: 4-[[anilino(oxo)methyl]amino]-5-(N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)-5-oxopentanoic acid IUPAC Name: 5-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-5-oxo-4-(phenylcarbamoylamino)pentanoic acid Traditional Name: 5-(N-tert-butoxycarbonylanilino)-5-keto-4-(phenylcarbamoylamino)valeric acid Formula: C23H27N3O6 MolecularWeight: 441.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C(=O)C(CCC(=O)O)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C(=O)C(CCC(=O)O)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H27N3O6/c1-23(2,3)32-22(31)26(17-12-8-5-9-13-17)20(29)18(14-15-19(27)28)25-21(30)24-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,27,28)(H2,24,25,30)