methyl 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(phenylmethyl)amino]heptanoate

Systemtic Name: methyl 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(phenylmethyl)amino]heptanoate Openeye Name: methyl 3-(benzylamino)-4-(tert-butoxycarbonylamino)-6-methyl-heptanoate CAS Name: 6-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(phenylmethyl)amino]heptanoic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate Traditional Name: 3-(benzylamino)-4-(tert-butoxycarbonylamino)-6-methyl-enanthic acid methyl ester Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-15(2)12-18(23-20(25)27-21(3,4)5)17(13-19(24)26-6)22-14-16-10-8-7-9-11-16/h7-11,15,17-18,22H,12-14H2,1-6H3,(H,23,25)