[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] (2R)-4-methyl-2-ureido-pentanoate CAS Name: (2R)-2-(carbamoylamino)-4-methylpentanoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylpentanoate Traditional Name: (2R)-4-methyl-2-ureido-valeric acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C16H22ClN3O5 MolecularWeight: 371.81598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)Cl)NC(=O)N

Isomeric SMILES

CC(C)C[C@H](C(=O)OCC(=O)NC1=CC(=C(C=C1)OC)Cl)NC(=O)N

InChI

InChI=1S/C16H22ClN3O5/c1-9(2)6-12(20-16(18)23)15(22)25-8-14(21)19-10-4-5-13(24-3)11(17)7-10/h4-5,7,9,12H,6,8H2,1-3H3,(H,19,21)(H3,18,20,23)/t12-/m1/s1