2-azanyl-4-(2-azanylpropanoyl)-3-phenylmethoxycarbonyl-benzoic acid

Systemtic Name: 2-azanyl-4-(2-azanylpropanoyl)-3-phenylmethoxycarbonyl-benzoic acid Openeye Name: 2-amino-4-(2-aminopropanoyl)-3-benzyloxycarbonyl-benzoic acid CAS Name: 2-amino-4-(2-amino-1-oxopropyl)-3-phenylmethoxycarbonylbenzoic acid IUPAC Name: 2-amino-4-(2-aminopropanoyl)-3-phenylmethoxycarbonylbenzoic acid Traditional Name: 4-alanyl-2-amino-3-carbobenzoxy-benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C(=C(C=C1)C(=O)O)N)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)C1=C(C(=C(C=C1)C(=O)O)N)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C18H18N2O5/c1-10(19)16(21)12-7-8-13(17(22)23)15(20)14(12)18(24)25-9-11-5-3-2-4-6-11/h2-8,10H,9,19-20H2,1H3,(H,22,23)