6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(phenylmethyl)amino]hept-4-ynoic acid

Systemtic Name: 6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(phenylmethyl)amino]hept-4-ynoic acid Openeye Name: 6-(benzylamino)-2-(tert-butoxycarbonylamino)-6-methyl-hept-4-ynoic acid CAS Name: 6-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[(phenylmethyl)amino]-4-heptynoic acid IUPAC Name: 6-(benzylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-ynoic acid Traditional Name: 6-(benzylamino)-2-(tert-butoxycarbonylamino)-6-methyl-hept-4-ynoic acid Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC(C)(C)NCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC#CC(C)(C)NCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C20H28N2O4/c1-19(2,3)26-18(25)22-16(17(23)24)12-9-13-20(4,5)21-14-15-10-7-6-8-11-15/h6-8,10-11,16,21H,12,14H2,1-5H3,(H,22,25)(H,23,24)