2-[[4-(2-acetamidoethanoylamino)phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-(2-acetamidoethanoylamino)phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-[(2-acetamidoacetyl)amino]benzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[(2-acetamido-1-oxoethyl)amino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-[(2-acetamidoacetyl)amino]benzoyl]amino]butanedioic acid Traditional Name: 2-[[4-[(2-acetamidoacetyl)amino]benzoyl]amino]succinic acid Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NCC(=O)NC1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H17N3O7/c1-8(19)16-7-12(20)17-10-4-2-9(3-5-10)14(23)18-11(15(24)25)6-13(21)22/h2-5,11H,6-7H2,1H3,(H,16,19)(H,17,20)(H,18,23)(H,21,22)(H,24,25)