methyl (2S)-3-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[[(2S)-2-benzamido-4-methyl-1-oxopentyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[[(2S)-2-benzamido-4-methylpentanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[[(2S)-2-benzamido-4-methyl-pentanoyl]amino]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C22H33N3O6 MolecularWeight: 435.51392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O6/c1-14(2)12-16(24-18(26)15-10-8-7-9-11-15)19(27)23-13-17(20(28)30-6)25-21(29)31-22(3,4)5/h7-11,14,16-17H,12-13H2,1-6H3,(H,23,27)(H,24,26)(H,25,29)/t16-,17-/m0/s1