ethyl 4-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]benzoate Openeye Name: ethyl 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoate CAS Name: 4-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzoate Traditional Name: 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoic acid ethyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OCC)NC(=O)N

InChI

InChI=1S/C16H23N3O4/c1-4-10(3)13(19-16(17)22)14(20)18-12-8-6-11(7-9-12)15(21)23-5-2/h6-10,13H,4-5H2,1-3H3,(H,18,20)(H3,17,19,22)