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

Systemtic Name: methyl 4-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]benzoate Openeye Name: methyl 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoate CAS Name: 4-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzoate Traditional Name: 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoic acid methyl ester Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-4-9(2)12(18-15(16)21)13(19)17-11-7-5-10(6-8-11)14(20)22-3/h5-9,12H,4H2,1-3H3,(H,17,19)(H3,16,18,21)