ethyl 2-[2-[(2S)-2-(aminocarbonylamino)-4-methyl-pentanoyl]oxyethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(2S)-2-(aminocarbonylamino)-4-methyl-pentanoyl]oxyethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2S)-4-methyl-2-ureido-pentanoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[(2S)-2-(carbamoylamino)-4-methyl-1-oxopentoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(2S)-4-methyl-2-ureido-pentanoyl]oxyacetyl]amino]benzoic acid ethyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(CC(C)C)NC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)N

InChI

InChI=1S/C18H25N3O6/c1-4-26-16(23)12-7-5-6-8-13(12)20-15(22)10-27-17(24)14(9-11(2)3)21-18(19)25/h5-8,11,14H,4,9-10H2,1-3H3,(H,20,22)(H3,19,21,25)/t14-/m0/s1