3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(tert-butoxycarbonylamino)propionic acid Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O7/c1-18(2,3)28-17(26)19-9-13(15(23)24)21-14(22)10-20-16(25)27-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,26)(H,20,25)(H,21,22)(H,23,24)