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

Systemtic Name: 2-[[azanyl-(phenylmethyl)carbamoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[amino(benzyl)carbamoyl]-tert-butoxycarbonyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[[amino-(phenylmethyl)amino]-oxomethyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[amino(benzyl)carbamoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[amino(benzyl)carbamoyl]-tert-butoxycarbonyl-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)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)N(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)N(CC2=CC=CC=C2)N

InChI

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