4-acetamido-2-(2-azanylethanoylamino)-3-(phenylcarbonyl)benzoic acid

Systemtic Name: 4-acetamido-2-(2-azanylethanoylamino)-3-(phenylcarbonyl)benzoic acid Openeye Name: 4-acetamido-2-[(2-aminoacetyl)amino]-3-benzoyl-benzoic acid CAS Name: 4-acetamido-2-[(2-amino-1-oxoethyl)amino]-3-benzoylbenzoic acid IUPAC Name: 4-acetamido-2-[(2-aminoacetyl)amino]-3-benzoylbenzoic acid Traditional Name: 4-acetamido-3-benzoyl-2-(glycylamino)benzoic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C=C1)C(=O)O)NC(=O)CN)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C(=C(C=C1)C(=O)O)NC(=O)CN)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H17N3O5/c1-10(22)20-13-8-7-12(18(25)26)16(21-14(23)9-19)15(13)17(24)11-5-3-2-4-6-11/h2-8H,9,19H2,1H3,(H,20,22)(H,21,23)(H,25,26)