2-[(4-aminophenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid hydrate

Systemtic Name: 2-[(4-aminophenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoic acid hydrate Openeye Name: 2-(4-amino-N-tert-butoxycarbonyl-anilino)acetic acid hydrate CAS Name: 2-(4-amino-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)acetic acid hydrate IUPAC Name: 2-[4-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid hydrate Traditional Name: 2-(4-amino-N-tert-butoxycarbonyl-anilino)acetic acid hydrate Formula: C13H20N2O5 MolecularWeight: 284.3083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)O)C1=CC=C(C=C1)N.O

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)O)C1=CC=C(C=C1)N.O

InChI

InChI=1S/C13H18N2O4.H2O/c1-13(2,3)19-12(18)15(8-11(16)17)10-6-4-9(14)5-7-10;/h4-7H,8,14H2,1-3H3,(H,16,17);1H2