2-[[[(2-methylpropan-2-yl)oxycarbonylamino]-(phenylmethyl)carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[[(2-methylpropan-2-yl)oxycarbonylamino]-(phenylmethyl)carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[benzyl-(tert-butoxycarbonylamino)carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(phenylmethyl)amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[benzyl-(tert-butoxycarbonylamino)carbamoyl]amino]-3-phenyl-propionic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)30-21(29)24-25(15-17-12-8-5-9-13-17)20(28)23-18(19(26)27)14-16-10-6-4-7-11-16/h4-13,18H,14-15H2,1-3H3,(H,23,28)(H,24,29)(H,26,27)